data_2ml1_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 2ml1 _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 ' 2' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 . . . . . 0 N--CA 1.477 0.891 0 N-CA-C 109.676 -0.49 . . . . 25.0 109.676 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -103.75 178.72 25.1 Favored Glycine 0 N--CA 1.451 -0.307 0 N-CA-C 111.643 -0.583 . . . . 25.0 111.643 -178.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.8 t -133.64 -171.49 2.73 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 106.309 -1.737 . . . . 25.0 106.309 179.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -75.49 140.39 42.78 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 108.061 -1.088 . . . . 25.0 108.061 178.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.49 -175.91 19.17 Favored Glycine 0 C--N 1.323 -0.174 0 N-CA-C 107.371 -2.292 . . . . 25.0 107.371 -170.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -89.03 139.27 30.62 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 119.061 1.431 . . . . 25.0 110.345 -176.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -132.94 152.75 51.87 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-O 121.171 0.51 . . . . 50.0 111.513 -178.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 96.0 t -124.57 114.24 39.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 104.189 -2.522 . . . . 25.0 104.189 170.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 67.9 mt -119.31 133.13 55.89 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.294 -0.632 . . . . 25.0 109.294 -173.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 71.5 mt -126.66 123.7 63.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 108.269 -1.012 . . . . 25.0 108.269 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -87.71 156.77 28.06 Favored Glycine 0 N--CA 1.451 -0.328 0 CA-C-O 121.569 0.538 . . . . 25.0 112.705 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 88.4 p -90.0 -179.1 5.62 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 123.805 0.842 . . . . 25.0 110.786 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -63.82 -26.51 68.66 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 115.498 1.666 . . . . 25.0 115.498 -177.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.9 m -79.23 166.1 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.779 -0.452 . . . . 25.0 109.779 -178.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.46 139.15 28.62 Favored Glycine 0 N--CA 1.453 -0.191 0 N-CA-C 109.991 -1.244 . . . . 25.0 109.991 176.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -141.97 160.99 39.1 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 117.304 0.552 . . . . 50.0 111.395 -173.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -117.57 115.62 25.48 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 105.619 -1.993 . . . . 25.0 105.619 173.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 53.2 mt -127.19 124.37 64.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.59 -0.277 . . . . 25.0 110.339 -172.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 69.6 p -115.58 142.56 46.56 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.887 -0.783 . . . . 25.0 108.887 174.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.62 -21.84 35.86 Favored Glycine 0 C--O 1.24 0.497 0 C-N-CA 121.201 -0.523 . . . . 25.0 114.077 -178.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 74.92 -164.7 54.61 Favored Glycine 0 C--O 1.248 1.001 0 O-C-N 122.201 -0.587 . . . . 25.0 111.764 -176.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.9 170.74 13.1 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 121.802 -0.822 . . . . 25.0 108.968 177.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.73 175.66 49.4 Favored Glycine 0 C--O 1.241 0.578 0 CA-C-N 116.435 -0.348 . . . . 25.0 113.453 178.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -85.85 115.12 23.29 Favored 'General case' 0 CA--C 1.512 -0.488 0 N-CA-C 108.78 -0.822 . . . . 25.0 108.78 -178.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -125.66 153.86 43.21 Favored 'General case' 0 C--O 1.241 0.649 0 N-CA-C 113.351 0.871 . . . . 50.0 113.351 -174.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 45.0 ttt85 -113.93 130.58 56.5 Favored 'General case' 0 CA--C 1.509 -0.612 0 N-CA-C 105.504 -2.036 . . . . 25.0 105.504 167.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.2 mp -118.51 133.89 55.51 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 106.66 -1.607 . . . . 25.0 106.66 176.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -125.25 135.3 52.4 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 105.912 -1.884 . . . . 25.0 105.912 177.101 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -103.17 -30.53 5.35 Favored Glycine 0 C--N 1.32 -0.321 0 N-CA-C 114.694 0.638 . . . . 25.0 114.694 -175.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 67.28 -154.93 52.89 Favored Glycine 0 C--O 1.246 0.878 0 C-N-CA 120.408 -0.901 . . . . 25.0 111.604 -176.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.89 175.31 6.68 Favored 'General case' 0 C--O 1.248 0.987 0 O-C-N 122.225 -0.573 . . . . 25.0 109.926 178.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 81.08 161.22 26.1 Favored Glycine 0 C--O 1.241 0.544 0 N-CA-C 111.08 -0.808 . . . . 25.0 111.08 -178.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -84.36 124.02 30.83 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 106.293 -1.743 . . . . 25.0 106.293 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -124.26 151.53 44.08 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 113.246 0.832 . . . . 50.0 113.246 -171.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 mp -111.81 124.93 53.4 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 106.867 -1.531 . . . . 25.0 106.867 175.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.1 mp -124.97 114.89 19.73 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.703 0.631 . . . . 25.0 112.703 -175.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -105.02 116.47 32.0 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 116.028 -0.533 . . . . 25.0 109.821 179.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -66.94 -45.18 85.74 Favored Glycine 0 C--O 1.248 1.001 0 C-N-CA 120.488 -0.863 . . . . 25.0 115.218 -177.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.98 174.57 42.95 Favored Glycine 0 CA--C 1.519 0.294 0 N-CA-C 111.191 -0.764 . . . . 25.0 111.191 -177.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.84 153.85 10.23 Favored 'General case' 0 C--O 1.238 0.448 0 O-C-N 121.962 -0.728 . . . . 25.0 111.541 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 88.46 167.94 43.69 Favored Glycine 0 C--O 1.239 0.451 0 N-CA-C 110.795 -0.922 . . . . 25.0 110.795 -175.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.0 ptp85 -80.98 145.12 31.36 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 107.389 -1.337 . . . . 25.0 107.389 178.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -140.17 162.88 34.18 Favored 'General case' 0 C--N 1.317 -0.844 0 O-C-N 122.029 -0.42 . . . . 50.0 111.53 -175.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -127.61 115.59 19.01 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 106.235 -1.765 . . . . 25.0 106.235 177.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.8 mp -113.47 127.93 56.27 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.636 0.255 . . . . 25.0 111.253 -172.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.51 115.32 23.21 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.355 -0.98 . . . . 25.0 108.355 -179.03 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -80.36 -40.87 12.4 Favored Glycine 0 N--CA 1.462 0.41 0 C-N-CA 120.288 -0.958 . . . . 25.0 115.377 -175.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.66 -166.79 54.86 Favored Glycine 0 C--O 1.242 0.632 0 C-N-CA 120.775 -0.726 . . . . 25.0 111.505 -175.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 74.4 mt -62.34 157.91 18.68 Favored 'General case' 0 C--O 1.241 0.629 0 C-N-CA 122.618 0.367 . . . . 25.0 111.242 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 91.25 168.59 41.68 Favored Glycine 0 C--O 1.244 0.729 0 N-CA-C 110.725 -0.95 . . . . 25.0 110.725 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.69 125.34 31.77 Favored 'General case' 0 C--O 1.217 -0.619 0 N-CA-C 106.028 -1.842 . . . . 25.0 106.028 177.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -124.64 146.93 48.83 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 109.4 -0.592 . . . . 50.0 109.4 -175.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.6 t -119.59 133.23 55.75 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 108.361 -0.978 . . . . 25.0 108.361 177.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -113.67 124.22 51.78 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 106.22 -1.77 . . . . 25.0 106.22 -178.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 40.0 ttt85 -131.35 152.84 50.23 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 113.717 1.006 . . . . 25.0 113.717 -171.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 28.7 p90 -70.26 155.79 40.16 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.166 -1.379 . . . . 25.0 107.864 167.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -122.68 -19.21 6.34 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 108.973 -0.751 . . . . 25.0 108.973 169.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -129.03 164.01 24.15 Favored 'General case' 0 C--O 1.221 -0.432 0 N-CA-C 107.7 -1.222 . . . . 25.0 107.7 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 37.4 ptt180 -75.31 -16.62 60.4 Favored 'General case' 0 C--O 1.21 -1.013 0 CA-C-O 121.542 0.687 . . . . 25.0 109.991 173.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -106.73 13.35 28.12 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.604 0.716 . . . . 25.0 110.195 -176.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -57.24 -33.07 67.2 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 115.058 1.503 . . . . 25.0 115.058 -173.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 36.8 p -145.82 97.85 3.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.793 0.33 . . . . 25.0 111.228 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -142.07 166.65 24.11 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.933 -0.395 . . . . 25.0 109.933 177.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -132.67 153.03 51.5 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 107.479 -1.304 . . . . 25.0 107.479 178.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 94.5 p -155.59 169.13 10.86 Favored Pre-proline 0 C--N 1.318 -0.761 0 N-CA-C 106.237 -1.764 . . . . 25.0 106.237 -175.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -69.9 -10.63 28.9 Favored 'Trans proline' 0 CA--C 1.538 0.676 0 C-N-CA 116.12 -2.12 . . . . 25.0 112.852 175.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 70.0 mt -79.85 -6.09 56.71 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 120.994 0.426 . . . . 25.0 110.509 177.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 135.65 169.86 11.94 Favored Glycine 0 N--CA 1.45 -0.373 0 CA-C-O 121.799 0.666 . . . . 25.0 112.641 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.1 t -95.86 138.29 33.71 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.594 -0.891 . . . . 25.0 108.594 177.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -131.13 20.45 4.88 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 106.901 -1.518 . . . . 25.0 106.901 178.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 85.1 p -78.11 158.95 28.93 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 115.531 -0.759 . . . . 25.0 110.589 -178.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -98.52 155.49 17.25 Favored 'General case' 0 C--O 1.241 0.637 0 CA-C-O 120.913 0.387 . . . . 50.0 110.692 178.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.4 mp -124.34 135.56 53.42 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 106.674 -1.602 . . . . 25.0 106.674 177.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 56.6 mt -107.93 145.04 15.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 N-CA-C 103.289 -2.856 . . . . 25.0 103.289 175.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 83.1 mt -110.61 136.69 49.33 Favored 'General case' 0 C--N 1.318 -0.782 0 O-C-N 123.851 0.719 . . . . 25.0 111.36 -172.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 65.78 -60.24 0.29 Allowed 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 126.316 1.847 . . . . 25.0 114.894 176.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 28.2 t80 59.2 131.48 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 117.484 2.402 . . . . 25.0 117.484 173.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -102.12 96.06 6.48 Favored Pre-proline 0 N--CA 1.473 0.713 0 O-C-N 121.29 -0.881 . . . . 25.0 109.43 176.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -68.94 -10.93 30.53 Favored 'Trans proline' 0 C--N 1.348 0.5 0 N-CA-C 115.135 1.167 . . . . 25.0 115.135 -176.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 41.0 t -79.38 -14.46 58.95 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 121.82 -0.55 . . . . 25.0 112.318 176.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -137.95 -33.29 0.71 Allowed 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 115.544 1.683 . . . . 25.0 115.544 -170.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -85.8 158.53 19.96 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 113.788 1.032 . . . . 50.0 113.788 -169.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 45.3 tptt -129.12 144.37 51.18 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.382 0.673 . . . . 25.0 111.478 -176.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 51.5 mt -127.08 127.01 69.15 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 N-CA-C 107.603 -1.258 . . . . 25.0 107.603 177.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -111.0 131.77 54.77 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.498 -0.556 . . . . 25.0 109.498 178.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 26.9 m -131.8 11.04 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 CA-C-O 121.639 0.733 . . . . 25.0 111.913 -176.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.66 -29.68 62.55 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 117.41 2.374 . . . . 25.0 117.41 -172.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -76.92 -10.94 59.71 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 113.786 1.032 . . . . 25.0 113.786 -178.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 21.8 mt -85.45 -43.71 13.37 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 106.134 -1.802 . . . . 25.0 106.134 179.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.68 0 CA-C-N 114.272 -1.331 . . . . 25.0 112.356 -179.559 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 . . . . . 0 N--CA 1.478 0.928 0 N-CA-C 112.135 0.42 . . . . 25.0 112.135 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 100.66 1.0 55.33 Favored Glycine 0 C--O 1.236 0.25 0 N-CA-C 116.279 1.271 . . . . 25.0 116.279 171.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -133.08 158.82 41.82 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.676 0.238 . . . . 25.0 110.384 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 53.73 43.53 30.92 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 113.236 0.828 . . . . 25.0 113.236 176.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 87.03 3.47 82.78 Favored Glycine 0 C--O 1.236 0.221 0 C-N-CA 120.973 -0.632 . . . . 25.0 114.101 173.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 72.1 p -100.28 141.45 33.11 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 106.96 -1.496 . . . . 25.0 106.96 176.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 13.5 mt -82.58 160.65 22.49 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 121.841 -0.537 . . . . 25.0 111.906 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -154.37 167.66 29.23 Favored 'General case' 0 C--O 1.242 0.678 0 N-CA-C 104.841 -2.281 . . . . 25.0 104.841 166.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 10.7 p -116.99 149.44 19.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 107.416 -1.328 . . . . 25.0 107.416 177.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 24.8 m -140.94 161.98 36.56 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 107.326 -1.361 . . . . 25.0 107.326 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 77.6 mt . . . . . 0 C--N 1.321 -0.637 0 N-CA-C 108.152 -1.055 . . . . 25.0 108.152 -179.772 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 . . . . . 0 CA--C 1.511 -0.533 0 N-CA-C 108.064 -1.087 . . . . 25.0 108.064 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 26.1 m -133.67 146.66 51.07 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 106.758 -1.571 . . . . 25.0 106.758 -176.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -133.81 148.67 51.36 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.508 -0.552 . . . . 25.0 109.508 -177.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 8.1 mp -120.75 120.31 35.28 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 103.794 -2.669 . . . . 25.0 103.794 174.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -128.86 154.6 46.32 Favored 'General case' 0 CA--C 1.507 -0.704 0 O-C-N 123.115 0.259 . . . . 25.0 111.117 -174.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 90.6 p -140.47 -19.46 0.86 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 116.159 1.911 . . . . 25.0 116.159 -177.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 16.4 t80 . . . . . 0 CA--C 1.546 0.792 0 CA-C-O 121.477 0.656 . . . . 25.0 111.868 -172.728 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 15.4 m . . . . . 0 N--CA 1.451 -0.4 0 CA-C-O 120.755 0.312 . . . . 25.0 111.504 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -99.31 106.08 18.15 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.85 -0.796 . . . . 25.0 108.85 177.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -133.09 154.55 50.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.166 -0.47 . . . . 25.0 110.156 -172.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.5 mp -134.7 168.01 19.79 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 109.243 -0.651 . . . . 25.0 109.243 -179.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -144.04 157.51 44.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.972 0.415 . . . . 25.0 110.609 176.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 41.1 mt -131.97 122.01 24.86 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 105.442 -2.058 . . . . 25.0 105.442 176.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -113.22 131.36 55.93 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 108.397 -0.964 . . . . 25.0 108.397 -178.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 83.25 8.2 85.65 Favored Glycine 0 C--O 1.221 -0.712 0 N-CA-C 110.739 -0.944 . . . . 25.0 110.739 -177.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -57.35 137.92 55.5 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.369 0.877 . . . . 25.0 113.369 -174.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 80.5 m80 -76.91 68.19 3.05 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.9 0.857 . . . . 25.0 109.829 171.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -62.76 -27.41 69.27 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.111 -0.95 . . . . 25.0 109.927 179.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.22 -26.56 67.82 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.825 -0.625 . . . . 25.0 111.855 177.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 46.4 p -124.25 21.09 8.85 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 112.782 0.66 . . . . 25.0 112.782 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.8 pp -64.2 149.36 48.05 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 122.064 -0.397 . . . . 25.0 110.998 -177.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 75.1 m -141.32 150.18 42.16 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.087 0.47 . . . . 25.0 110.111 178.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.91 -8.94 48.87 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 113.151 0.797 . . . . 25.0 113.151 -177.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -67.5 -22.74 73.38 Favored Glycine 0 CA--C 1.52 0.355 0 C-N-CA 121.027 -0.606 . . . . 25.0 112.895 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -66.26 -27.84 68.26 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 114.853 1.427 . . . . 25.0 114.853 -176.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 43.3 pt -92.0 154.33 3.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 O-C-N 121.838 -0.539 . . . . 25.0 111.092 -176.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 11.0 p -57.92 -31.74 41.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 N-CA-C 113.015 0.746 . . . . 25.0 113.015 -176.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 . . . . . 0 C--N 1.326 -0.419 0 O-C-N 122.132 -0.355 . . . . 25.0 111.441 -177.524 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 . . . . . 0 N--CA 1.478 0.934 0 N-CA-C 113.23 0.826 . . . . 25.0 113.23 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -96.23 171.21 28.0 Favored Glycine 0 N--CA 1.452 -0.279 0 CA-C-O 121.904 0.724 . . . . 25.0 114.272 -175.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.5 t -140.6 -163.43 1.53 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 105.208 -2.145 . . . . 25.0 105.208 178.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -69.16 155.46 40.35 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 119.191 0.905 . . . . 25.0 109.182 176.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 92.04 -177.91 40.16 Favored Glycine 0 C--O 1.235 0.17 0 N-CA-C 109.487 -1.445 . . . . 25.0 109.487 -173.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -93.64 127.63 39.41 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 117.75 0.775 . . . . 25.0 109.812 -175.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -119.64 153.25 35.8 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 120.695 0.283 . . . . 50.0 110.722 -178.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 65.6 t -123.65 111.21 28.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 104.941 -2.244 . . . . 25.0 104.941 171.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 49.7 mt -115.7 135.0 54.48 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.741 -0.837 . . . . 25.0 108.741 -173.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 46.4 mm -125.29 136.95 59.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 105.498 -2.038 . . . . 25.0 105.498 -176.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -90.18 178.65 43.44 Favored Glycine 0 N--CA 1.452 -0.241 0 CA-C-O 121.708 0.616 . . . . 25.0 113.417 -177.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 98.2 p -126.31 178.16 6.0 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.034 -0.728 . . . . 25.0 109.034 179.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -59.79 -41.34 90.95 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 114.474 1.287 . . . . 25.0 114.474 -176.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.4 m -71.04 164.88 3.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.874 0.368 . . . . 25.0 111.615 -177.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -69.67 139.27 31.38 Favored Glycine 0 CA--C 1.517 0.211 0 N-CA-C 110.926 -0.87 . . . . 25.0 110.926 177.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -139.67 164.35 30.16 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.282 0.563 . . . . 50.0 112.007 -173.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -129.79 113.99 15.38 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 105.511 -2.033 . . . . 25.0 105.511 175.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 55.8 mt -132.78 124.85 51.54 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 CA-C-O 120.763 0.316 . . . . 25.0 110.933 -172.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 91.0 p -113.71 146.74 39.37 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.633 -0.506 . . . . 25.0 109.633 174.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -91.95 -22.48 30.36 Favored Glycine 0 C--O 1.238 0.398 0 C-N-CA 120.869 -0.681 . . . . 25.0 114.277 -178.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.9 -159.38 53.57 Favored Glycine 0 C--O 1.245 0.797 0 C-N-CA 120.91 -0.662 . . . . 25.0 112.095 -177.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.88 172.09 10.55 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 109.073 -0.714 . . . . 25.0 109.073 178.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.76 171.81 48.53 Favored Glycine 0 C--O 1.242 0.619 0 CA-C-N 116.283 -0.417 . . . . 25.0 112.174 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -90.55 112.82 24.65 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 107.128 -1.434 . . . . 25.0 107.128 -178.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -118.67 157.58 27.16 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 113.96 1.096 . . . . 50.0 113.96 -172.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.7 mtp180 -112.94 133.91 54.69 Favored 'General case' 0 CA--C 1.505 -0.753 0 N-CA-C 105.184 -2.154 . . . . 25.0 105.184 168.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.4 mp -129.71 148.73 51.62 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 107.11 -1.441 . . . . 25.0 107.11 178.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -146.11 144.6 30.1 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 105.651 -1.981 . . . . 25.0 105.651 175.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -105.46 -21.29 8.88 Favored Glycine 0 N--CA 1.451 -0.321 0 O-C-N 123.516 0.51 . . . . 25.0 112.053 -178.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 66.37 -153.86 52.02 Favored Glycine 0 C--O 1.242 0.635 0 N-CA-C 111.021 -0.832 . . . . 25.0 111.021 -175.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.32 175.72 7.38 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 122.221 -0.576 . . . . 25.0 109.964 178.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 76.85 166.77 25.54 Favored Glycine 0 C--O 1.238 0.378 0 N-CA-C 111.447 -0.661 . . . . 25.0 111.447 -177.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -83.27 135.48 34.74 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 106.886 -1.524 . . . . 25.0 106.886 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -135.96 153.41 51.41 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 113.331 0.863 . . . . 50.0 113.331 -173.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.0 mp -111.27 125.81 54.22 Favored 'General case' 0 C--O 1.239 0.548 0 N-CA-C 106.651 -1.611 . . . . 25.0 106.651 176.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.6 mp -130.37 124.68 32.76 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 112.333 0.494 . . . . 25.0 112.333 -176.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -116.32 128.78 55.85 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-O 121.144 0.497 . . . . 25.0 110.404 178.465 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -80.4 -43.64 9.28 Favored Glycine 0 C--O 1.248 0.999 0 N-CA-C 115.998 1.159 . . . . 25.0 115.998 -175.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.03 -174.7 54.38 Favored Glycine 0 C--O 1.247 0.944 0 N-CA-C 111.403 -0.679 . . . . 25.0 111.403 -177.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.48 162.6 10.01 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 122.406 -0.467 . . . . 25.0 110.399 177.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.19 174.88 46.48 Favored Glycine 0 N--CA 1.461 0.323 0 N-CA-C 110.364 -1.094 . . . . 25.0 110.364 -177.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.7 ptp85 -100.83 124.29 46.27 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 106.935 -1.505 . . . . 25.0 106.935 179.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -123.56 158.62 30.99 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.14 -0.482 . . . . 50.0 112.206 -168.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -124.63 112.62 17.0 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 106.841 -1.54 . . . . 25.0 106.841 175.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.7 mp -110.98 137.54 48.49 Favored 'General case' 0 C--O 1.209 -1.034 0 N-CA-C 108.638 -0.875 . . . . 25.0 108.638 -175.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.2 m -124.18 125.44 44.45 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 107.502 -1.295 . . . . 25.0 107.502 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -84.94 -40.56 8.03 Favored Glycine 0 C--O 1.239 0.407 0 C-N-CA 119.608 -1.282 . . . . 25.0 113.561 -176.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.0 -165.17 54.8 Favored Glycine 0 C--O 1.243 0.659 0 N-CA-C 110.45 -1.06 . . . . 25.0 110.45 -176.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 89.5 mt -63.35 157.52 22.83 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 122.472 -0.428 . . . . 25.0 110.523 178.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 90.51 170.99 43.76 Favored Glycine 0 C--O 1.248 0.993 0 CA-C-N 115.548 -0.751 . . . . 25.0 111.543 -178.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.89 124.6 32.55 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 107.008 -1.478 . . . . 25.0 107.008 178.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -121.33 139.78 52.97 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.509 -0.552 . . . . 50.0 109.509 -175.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.2 t -116.17 130.13 56.65 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.303 -0.999 . . . . 25.0 108.303 178.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -110.8 128.15 55.65 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 106.144 -1.798 . . . . 25.0 106.144 -177.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 56.5 ttt-85 -127.75 146.16 50.67 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.442 0.639 . . . . 25.0 112.142 -171.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -71.87 148.59 45.99 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.662 -0.866 . . . . 25.0 108.662 170.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -98.79 -38.21 9.15 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 106.003 -1.851 . . . . 25.0 106.003 168.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 52.7 tp -140.76 158.67 43.63 Favored 'General case' 0 C--O 1.221 -0.43 0 N-CA-C 105.632 -1.988 . . . . 25.0 105.632 175.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 40.8 ptt180 -60.7 -23.76 65.13 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 121.456 0.646 . . . . 25.0 111.968 178.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -80.6 2.11 26.99 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 122.118 -0.364 . . . . 25.0 111.653 -177.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -60.19 -31.67 70.36 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 111.888 0.329 . . . . 25.0 111.888 178.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 57.2 p -139.73 91.16 2.45 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.385 0.612 . . . . 25.0 112.042 -177.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 36.6 p-80 -148.12 163.71 36.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 122.14 -0.35 . . . . 25.0 110.785 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 10.9 mtm180 -133.55 160.3 37.87 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.081 -0.711 . . . . 25.0 109.081 177.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 96.4 p -152.15 166.5 15.16 Favored Pre-proline 0 C--N 1.32 -0.695 0 N-CA-C 106.469 -1.678 . . . . 25.0 106.469 -177.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -70.31 -9.67 26.42 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 115.901 -2.266 . . . . 25.0 112.726 175.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 68.3 mt -86.12 -5.83 59.13 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 122.65 0.38 . . . . 25.0 110.812 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 142.77 169.61 12.4 Favored Glycine 0 C--O 1.236 0.278 0 CA-C-O 121.859 0.7 . . . . 25.0 113.021 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.5 t -100.22 143.64 30.17 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.742 -0.466 . . . . 25.0 109.742 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -134.8 19.11 3.52 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 105.775 -1.935 . . . . 25.0 105.775 175.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 41.8 t -75.4 157.2 34.53 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.634 -1.166 . . . . 25.0 108.82 -179.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -109.07 151.35 26.5 Favored 'General case' 0 CA--C 1.503 -0.858 0 CA-C-O 121.372 0.606 . . . . 50.0 110.377 -179.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.5 mp -118.7 135.26 54.58 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 105.842 -1.91 . . . . 25.0 105.842 -179.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 41.2 mt -107.98 137.11 41.03 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.726 0 N-CA-C 103.702 -2.703 . . . . 25.0 103.702 172.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 60.5 mt -108.26 144.08 36.23 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 115.151 -0.932 . . . . 25.0 109.122 -173.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 54.98 47.06 23.0 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 124.478 1.111 . . . . 25.0 109.529 176.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -70.79 130.0 40.55 Favored 'General case' 0 C--O 1.241 0.652 0 CA-C-N 114.792 -1.095 . . . . 25.0 113.472 -174.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -97.3 99.61 6.5 Favored Pre-proline 0 N--CA 1.469 0.497 0 CA-C-N 115.647 -0.706 . . . . 25.0 110.384 176.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -69.84 -11.24 30.33 Favored 'Trans proline' 0 CA--C 1.534 0.51 0 C-N-CA 116.463 -1.892 . . . . 25.0 113.505 178.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.5 t -84.64 -9.08 58.6 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 116.335 -0.393 . . . . 25.0 111.808 178.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -139.66 -34.27 0.57 Allowed 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 115.208 1.559 . . . . 25.0 115.208 -172.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -95.3 150.95 19.69 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.681 0.623 . . . . 50.0 112.681 -168.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 42.3 tptt -133.68 150.7 51.54 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.947 -0.57 . . . . 25.0 110.494 -174.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 15.0 mt -126.98 121.73 58.71 Favored 'Isoleucine or valine' 0 C--O 1.242 0.663 0 CA-C-O 121.314 0.578 . . . . 25.0 111.599 -179.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.45 119.52 25.23 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.278 -1.378 . . . . 25.0 107.278 176.011 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 31.0 m -132.67 17.71 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 CA-C-O 121.451 0.644 . . . . 25.0 111.876 -176.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.9 t -57.23 -36.97 71.56 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 114.194 1.183 . . . . 25.0 114.194 -174.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.51 -17.36 64.15 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 115.24 1.57 . . . . 25.0 115.24 -176.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 30.1 mt -71.17 -45.6 63.14 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 106.706 -1.59 . . . . 25.0 106.706 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.459 0 CA-C-N 113.484 -1.689 . . . . 25.0 112.262 179.08 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 21.8 m120 . . . . . 0 C--O 1.22 -0.454 0 N-CA-C 110.086 -0.339 . . . . 25.0 110.086 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 79.24 3.58 88.53 Favored Glycine 0 C--O 1.236 0.229 0 N-CA-C 116.439 1.336 . . . . 25.0 116.439 179.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -137.91 150.48 47.12 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 117.257 0.528 . . . . 25.0 111.341 -177.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 53.34 44.95 29.4 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 114.176 1.176 . . . . 25.0 114.176 173.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.06 32.09 21.53 Favored Glycine 0 N--CA 1.454 -0.121 0 C-N-CA 120.418 -0.896 . . . . 25.0 113.461 176.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 59.7 p -135.49 146.56 48.27 Favored 'General case' 0 C--O 1.218 -0.565 0 N-CA-C 105.787 -1.931 . . . . 25.0 105.787 177.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 61.7 mt -86.34 153.76 21.71 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 116.528 2.047 . . . . 25.0 116.528 -172.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -136.06 159.6 41.2 Favored 'General case' 0 C--O 1.241 0.642 0 N-CA-C 104.164 -2.532 . . . . 25.0 104.164 167.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 11.2 p -124.23 153.28 30.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 107.883 -1.154 . . . . 25.0 107.883 -178.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 44.7 m -144.53 157.02 44.42 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 107.539 -1.282 . . . . 25.0 107.539 176.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 57.5 mt . . . . . 0 C--N 1.324 -0.507 0 N-CA-C 109.437 -0.579 . . . . 25.0 109.437 -178.371 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 89.9 mtt-85 . . . . . 0 CA--C 1.514 -0.435 0 N-CA-C 106.245 -1.761 . . . . 25.0 106.245 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 15.2 m -133.95 148.45 51.17 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.224 -0.658 . . . . 25.0 109.224 -176.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -135.32 147.65 49.22 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.526 -0.546 . . . . 25.0 109.526 -178.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 68.0 mt -128.29 137.08 51.81 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.307 -0.627 . . . . 25.0 109.307 179.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.4 tmtp? -135.41 127.72 30.21 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-O 119.082 -0.485 . . . . 25.0 110.463 -177.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 20.4 t -100.56 -28.81 12.68 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 112.912 0.708 . . . . 25.0 112.912 178.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 30.6 t80 . . . . . 0 N--CA 1.474 0.768 0 CA-C-O 122.256 1.027 . . . . 25.0 111.116 -179.476 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 35.7 t . . . . . 0 CA--C 1.513 -0.459 0 N-CA-C 115.007 1.484 . . . . 25.0 115.007 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -82.36 126.53 32.28 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 107.287 -1.375 . . . . 25.0 107.287 173.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -145.35 147.97 32.87 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 107.819 -1.178 . . . . 25.0 107.819 -174.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 6.9 mt -136.2 163.06 31.25 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 122.691 0.396 . . . . 25.0 110.085 -176.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -144.82 152.71 40.72 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 109.562 -0.533 . . . . 25.0 109.562 177.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 78.1 mt -132.81 144.64 50.37 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 106.592 -1.632 . . . . 25.0 106.592 177.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -129.06 155.54 45.26 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 107.407 -1.331 . . . . 25.0 107.407 177.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 72.21 28.64 67.78 Favored Glycine 0 CA--C 1.509 -0.337 0 N-CA-C 111.456 -0.658 . . . . 25.0 111.456 176.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 29.1 m120 -69.59 142.85 53.46 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.499 0.666 . . . . 25.0 111.593 -177.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 65.2 m80 -75.64 92.08 2.92 Favored 'General case' 0 C--O 1.214 -0.771 0 N-CA-C 107.135 -1.432 . . . . 25.0 107.135 170.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -60.86 -31.27 70.73 Favored 'General case' 0 C--O 1.22 -0.496 0 N-CA-C 109.212 -0.662 . . . . 25.0 109.212 177.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.91 -28.82 69.79 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.216 -0.902 . . . . 25.0 111.875 178.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 64.1 p -130.51 30.28 4.72 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 113.138 0.792 . . . . 25.0 113.138 -178.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.0 pp -62.68 147.74 48.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.377 0.608 . . . . 25.0 111.42 -175.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 43.9 t -155.47 154.08 31.29 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.399 -0.963 . . . . 25.0 108.399 -177.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -94.1 -7.27 42.98 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-O 121.118 0.485 . . . . 25.0 111.164 178.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -80.05 14.51 20.4 Favored Glycine 0 CA--C 1.522 0.481 0 N-CA-C 115.89 1.116 . . . . 25.0 115.89 -174.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 57.0 m-20 -68.07 -25.48 65.37 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 113.219 0.822 . . . . 25.0 113.219 -176.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 48.5 pt -83.04 158.26 3.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 121.968 -0.457 . . . . 25.0 111.281 -177.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 10.4 p -58.7 -33.23 48.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 113.732 1.012 . . . . 25.0 113.732 -177.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 . . . . . 0 C--N 1.326 -0.433 0 O-C-N 122.044 -0.41 . . . . 25.0 111.472 -179.293 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 22.1 pt20 . . . . . 0 N--CA 1.477 0.911 0 N-CA-C 111.535 0.198 . . . . 25.0 111.535 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -90.2 162.38 29.63 Favored Glycine 0 N--CA 1.449 -0.483 0 CA-C-O 121.939 0.744 . . . . 25.0 113.849 -174.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.1 t -136.52 -170.51 2.69 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 105.422 -2.066 . . . . 25.0 105.422 178.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -70.64 145.87 50.37 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 121.218 -0.926 . . . . 25.0 109.252 177.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 101.27 -176.35 26.62 Favored Glycine 0 C--N 1.323 -0.185 0 N-CA-C 109.615 -1.394 . . . . 25.0 109.615 -172.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 62.3 m-20 -90.8 131.08 36.67 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 118.318 1.059 . . . . 25.0 110.082 -175.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -124.53 154.02 41.22 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.173 0.511 . . . . 50.0 111.421 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 93.5 t -125.54 114.24 38.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 104.554 -2.387 . . . . 25.0 104.554 171.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 44.5 mt -122.26 138.43 54.5 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.756 -0.831 . . . . 25.0 108.756 -173.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 39.8 mm -128.14 130.86 69.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 107.668 -1.234 . . . . 25.0 107.668 -177.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -90.56 175.39 40.6 Favored Glycine 0 C--O 1.229 -0.171 0 CA-C-O 121.774 0.652 . . . . 25.0 113.099 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 91.0 p -122.62 -179.53 4.25 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 123.415 0.686 . . . . 25.0 109.793 -179.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -67.15 -27.09 67.01 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 115.421 1.638 . . . . 25.0 115.421 -176.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.7 m -76.06 165.97 2.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 C-N-CA 120.916 -0.314 . . . . 25.0 110.388 -179.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.1 137.55 28.31 Favored Glycine 0 C--O 1.234 0.122 0 N-CA-C 110.393 -1.083 . . . . 25.0 110.393 176.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -140.64 166.67 24.12 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.427 0.632 . . . . 50.0 111.999 -174.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -132.11 116.99 17.74 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 105.016 -2.216 . . . . 25.0 105.016 175.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.3 mt -135.56 116.57 19.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.132 0.491 . . . . 25.0 110.646 -173.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 98.6 p -107.4 147.46 30.36 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.661 -0.866 . . . . 25.0 108.661 175.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -94.75 -23.26 21.39 Favored Glycine 0 N--CA 1.458 0.148 0 C-N-CA 121.083 -0.58 . . . . 25.0 114.101 -178.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.94 -160.47 54.06 Favored Glycine 0 C--O 1.243 0.7 0 C-N-CA 120.891 -0.671 . . . . 25.0 111.601 -177.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.86 173.93 8.48 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 121.921 -0.752 . . . . 25.0 109.449 178.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.74 170.95 47.17 Favored Glycine 0 C--O 1.241 0.565 0 CA-C-N 116.582 -0.281 . . . . 25.0 113.512 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -84.55 113.09 20.99 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.54 -0.911 . . . . 25.0 108.54 -178.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -118.41 160.68 21.27 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 113.88 1.067 . . . . 50.0 113.88 -174.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -123.41 127.45 48.45 Favored 'General case' 0 CA--C 1.51 -0.594 0 N-CA-C 104.105 -2.554 . . . . 25.0 104.105 170.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.3 mp -127.93 146.44 50.64 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 106.795 -1.557 . . . . 25.0 106.795 -178.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -140.99 141.06 34.43 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 105.043 -2.206 . . . . 25.0 105.043 175.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -103.36 -23.28 8.53 Favored Glycine 0 N--CA 1.447 -0.591 0 N-CA-C 111.899 -0.48 . . . . 25.0 111.899 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 65.84 -158.14 47.64 Favored Glycine 0 C--O 1.24 0.522 0 C-N-CA 120.652 -0.785 . . . . 25.0 111.517 -175.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.69 173.51 8.92 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.968 -0.725 . . . . 25.0 110.049 178.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.92 166.64 36.05 Favored Glycine 0 C--O 1.237 0.34 0 CA-C-N 115.892 -0.595 . . . . 25.0 112.045 -178.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -81.79 130.15 34.97 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 107.062 -1.459 . . . . 25.0 107.062 -178.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -134.19 152.44 51.83 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 113.794 1.035 . . . . 50.0 113.794 -173.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.8 mp -112.63 118.3 34.67 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.183 -1.414 . . . . 25.0 107.183 176.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.6 mp -125.21 124.87 42.66 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 112.52 0.563 . . . . 25.0 112.52 -175.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -116.7 124.82 50.62 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-O 121.095 0.474 . . . . 25.0 110.906 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -78.73 -44.03 10.96 Favored Glycine 0 C--O 1.243 0.698 0 N-CA-C 115.255 0.862 . . . . 25.0 115.255 -177.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.63 -171.01 47.87 Favored Glycine 0 C--O 1.245 0.805 0 C-N-CA 121.171 -0.537 . . . . 25.0 112.793 -178.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.86 158.51 21.84 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 122.542 -0.387 . . . . 25.0 111.193 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.29 171.86 45.59 Favored Glycine 0 N--CA 1.464 0.514 0 N-CA-C 109.754 -1.338 . . . . 25.0 109.754 -175.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.9 ptp85 -95.67 130.09 42.67 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 107.521 -1.288 . . . . 25.0 107.521 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -130.35 164.22 25.16 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 112.509 0.559 . . . . 50.0 112.509 -168.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.8 mpt_? -131.78 126.07 33.49 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 105.262 -2.125 . . . . 25.0 105.262 178.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.6 mp -127.36 102.18 6.79 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 123.463 0.477 . . . . 25.0 111.568 -172.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 31.7 m -87.99 117.9 27.17 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.813 -0.439 . . . . 25.0 109.813 179.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -84.98 -43.13 6.84 Favored Glycine 0 C--O 1.241 0.553 0 C-N-CA 120.123 -1.037 . . . . 25.0 112.083 -178.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 69.17 -162.05 51.84 Favored Glycine 0 C--O 1.24 0.514 0 C-N-CA 121.098 -0.572 . . . . 25.0 111.832 -178.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 95.5 mt -64.58 156.85 28.6 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 122.229 -0.571 . . . . 25.0 110.95 179.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.17 164.62 32.31 Favored Glycine 0 C--O 1.243 0.703 0 CA-C-N 115.251 -0.886 . . . . 25.0 111.127 -178.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.89 110.57 19.51 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 106.409 -1.7 . . . . 25.0 106.409 178.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -110.39 148.63 31.62 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.182 -0.463 . . . . 50.0 109.89 -173.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.8 t -124.54 139.53 53.79 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 121.757 0.789 . . . . 25.0 108.934 175.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -121.58 128.02 51.53 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 106.445 -1.687 . . . . 25.0 106.445 -177.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 56.8 ttt85 -126.02 145.59 50.24 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.949 0.881 . . . . 25.0 112.64 -171.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -73.65 150.92 41.0 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 114.747 -1.115 . . . . 25.0 109.29 175.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -110.85 -40.01 4.66 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 106.42 -1.696 . . . . 25.0 106.42 168.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 41.4 tp -142.72 153.88 43.76 Favored 'General case' 0 C--O 1.221 -0.405 0 N-CA-C 108.324 -0.991 . . . . 25.0 108.324 178.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 38.2 ptt180 -61.01 -24.96 66.56 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 121.649 0.738 . . . . 25.0 112.783 178.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -83.71 1.74 41.16 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.215 0.531 . . . . 25.0 111.355 -175.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -67.47 -23.2 65.47 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 122.085 -0.384 . . . . 25.0 110.753 178.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.3 m -125.32 42.54 3.26 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 113.473 0.916 . . . . 25.0 113.473 -174.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 59.0 t60 -100.44 142.29 32.12 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 113.32 0.859 . . . . 25.0 113.32 -176.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 30.1 mtm180 -135.86 155.09 50.84 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 108.105 -1.072 . . . . 25.0 108.105 173.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 82.0 p -146.92 168.41 11.47 Favored Pre-proline 0 C--N 1.325 -0.476 0 N-CA-C 105.758 -1.941 . . . . 25.0 105.758 178.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_endo -69.82 -11.24 30.36 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 115.449 -2.567 . . . . 25.0 113.462 178.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 78.2 mt -85.52 -7.32 58.95 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.6 0.238 . . . . 25.0 111.043 179.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 153.53 167.21 15.56 Favored Glycine 0 C--O 1.229 -0.176 0 C-N-CA 120.792 -0.718 . . . . 25.0 113.669 178.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.2 t -103.91 144.52 31.41 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.349 -0.611 . . . . 25.0 109.349 178.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -134.08 11.63 3.91 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 106.712 -1.588 . . . . 25.0 106.712 177.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.6 t -92.09 177.36 6.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.736 -1.12 . . . . 25.0 111.104 -175.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -116.17 158.26 23.55 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.818 -0.628 . . . . 50.0 112.683 -171.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.9 mp -119.79 135.21 54.95 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 106.794 -1.558 . . . . 25.0 106.794 173.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 53.8 mt -105.41 141.88 19.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 N-CA-C 104.205 -2.517 . . . . 25.0 104.205 174.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -117.89 142.11 47.69 Favored 'General case' 0 C--N 1.314 -0.947 0 N-CA-C 108.326 -0.99 . . . . 25.0 108.326 -175.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 56.24 46.45 21.23 Favored 'General case' 0 C--O 1.248 0.98 0 CA-C-O 121.921 0.867 . . . . 25.0 110.368 177.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -83.03 128.86 34.86 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.884 -1.053 . . . . 25.0 109.594 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -99.59 103.48 21.58 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-N 115.701 -0.681 . . . . 25.0 109.807 179.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -69.95 7.01 1.15 Allowed 'Trans proline' 0 CA--C 1.541 0.838 0 N-CA-C 115.512 1.312 . . . . 25.0 115.512 179.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 10.7 t -110.36 -6.2 15.04 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 115.983 -0.553 . . . . 25.0 111.172 177.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -141.7 -34.86 0.46 Allowed 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 114.079 1.14 . . . . 25.0 114.079 -174.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -88.6 158.73 18.17 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.01 0.433 . . . . 50.0 111.047 -173.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 46.9 tptt -132.94 146.8 52.11 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 116.504 -0.316 . . . . 25.0 111.238 -178.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 19.3 mt -123.63 112.14 32.0 Favored 'Isoleucine or valine' 0 C--O 1.243 0.735 0 N-CA-C 109.116 -0.698 . . . . 25.0 109.116 175.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -79.62 121.02 24.76 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 106.841 -1.54 . . . . 25.0 106.841 176.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 17.0 m -130.37 26.6 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 CA-C-O 121.622 0.725 . . . . 25.0 111.552 -175.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.23 -29.58 68.84 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 114.316 1.228 . . . . 25.0 114.316 -175.419 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -74.19 -19.68 60.46 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 113.033 0.753 . . . . 25.0 113.033 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 14.4 mt -84.08 -28.76 27.34 Favored 'General case' 0 C--O 1.216 -0.698 0 N-CA-C 106.232 -1.766 . . . . 25.0 106.232 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.587 0 CA-C-N 113.77 -1.559 . . . . 25.0 116.926 166.702 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.5 t30 . . . . . 0 N--CA 1.492 1.651 0 N-CA-C 107.654 -1.239 . . . . 25.0 107.654 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 105.78 -1.75 38.92 Favored Glycine 0 N--CA 1.46 0.261 0 CA-C-N 116.229 -0.441 . . . . 25.0 114.145 175.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -139.71 159.44 42.17 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.316 -0.994 . . . . 25.0 108.316 178.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 58.13 48.73 12.47 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.807 0.843 . . . . 25.0 112.495 -178.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 74.2 27.0 66.99 Favored Glycine 0 C--N 1.329 0.192 0 C-N-CA 121.044 -0.598 . . . . 25.0 114.262 174.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 44.0 p -126.5 157.21 39.29 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.829 -1.175 . . . . 25.0 107.829 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.8 mt -97.59 161.52 13.73 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 114.887 1.44 . . . . 25.0 114.887 -174.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -147.45 150.87 35.44 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 104.515 -2.402 . . . . 25.0 104.515 171.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 7.1 p -135.18 154.84 36.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 110.162 -0.31 . . . . 25.0 110.162 -175.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 46.4 m -147.43 160.75 42.21 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.03 -1.1 . . . . 25.0 108.03 177.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 25.5 mt . . . . . 0 C--N 1.324 -0.518 0 N-CA-C 108.486 -0.931 . . . . 25.0 108.486 179.627 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 41.2 mtt85 . . . . . 0 CA--C 1.51 -0.569 0 N-CA-C 108.834 -0.802 . . . . 25.0 108.834 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 7.2 m -126.49 147.58 49.81 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 106.707 -1.59 . . . . 25.0 106.707 178.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -134.37 145.26 48.8 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 107.639 -1.245 . . . . 25.0 107.639 179.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.8 mp -133.41 145.96 50.77 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.378 -0.601 . . . . 25.0 109.378 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -138.15 131.78 30.93 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.374 -0.375 . . . . 25.0 110.686 178.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 32.4 t -141.61 102.57 4.21 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 107.494 -1.299 . . . . 25.0 107.494 169.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 2.6 t80 . . . . . 0 C--N 1.321 -0.663 0 N-CA-C 105.517 -2.031 . . . . 25.0 105.517 177.128 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.8 p . . . . . 0 C--O 1.243 0.753 0 CA-C-O 120.668 0.271 . . . . 25.0 110.916 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -103.69 107.89 18.94 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 107.18 -1.415 . . . . 25.0 107.18 177.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 -129.64 135.08 48.1 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 107.818 -1.178 . . . . 25.0 107.818 -175.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.4 mp -130.72 168.13 17.69 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 122.36 0.264 . . . . 25.0 110.635 -171.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -146.11 151.78 38.23 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.109 -1.071 . . . . 25.0 108.109 175.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 39.2 mt -136.67 142.65 43.19 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 107.205 -1.405 . . . . 25.0 107.205 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -122.01 148.11 45.23 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.299 -1.0 . . . . 25.0 108.299 178.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 67.11 48.92 57.07 Favored Glycine 0 C--O 1.223 -0.568 0 C-N-CA 120.718 -0.753 . . . . 25.0 113.718 174.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -97.16 145.42 26.04 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 122.147 -0.619 . . . . 25.0 109.969 -179.475 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 72.8 m80 -76.95 91.39 3.59 Favored 'General case' 0 C--O 1.216 -0.661 0 N-CA-C 109.042 -0.725 . . . . 25.0 109.042 172.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -62.52 -27.16 68.97 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.856 -0.794 . . . . 25.0 108.856 175.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.34 -26.9 68.12 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.545 -0.752 . . . . 25.0 111.472 176.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 73.2 p -126.73 30.02 5.58 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 112.421 0.526 . . . . 25.0 112.421 179.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.1 pp -62.34 147.26 48.85 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.455 0.645 . . . . 25.0 111.22 -178.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 40.5 t -155.3 151.06 27.54 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.024 -0.732 . . . . 25.0 109.024 -179.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -79.65 -12.51 59.82 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 121.456 0.646 . . . . 25.0 111.085 176.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -71.54 1.45 28.45 Favored Glycine 0 CA--C 1.52 0.403 0 N-CA-C 116.89 1.516 . . . . 25.0 116.89 -173.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -70.32 -20.3 63.01 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 117.846 0.823 . . . . 25.0 112.659 -179.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 27.1 pt -76.88 152.22 5.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.134 0.492 . . . . 25.0 111.146 -177.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 7.5 p -64.62 -25.31 37.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 N-CA-C 112.72 0.637 . . . . 25.0 112.72 -177.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 . . . . . 0 C--N 1.323 -0.557 0 O-C-N 122.165 -0.334 . . . . 25.0 111.792 -175.042 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.478 0.926 0 N-CA-C 112.164 0.431 . . . . 25.0 112.164 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -102.89 -178.12 26.73 Favored Glycine 0 N--CA 1.453 -0.193 0 CA-C-N 116.277 -0.419 . . . . 25.0 113.609 -176.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.5 t -107.39 -173.62 2.33 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 106.487 -1.672 . . . . 25.0 106.487 177.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -84.7 4.3 33.28 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 120.946 -1.096 . . . . 25.0 112.447 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -86.82 -164.06 39.48 Favored Glycine 0 C--N 1.32 -0.34 0 N-CA-C 108.764 -1.735 . . . . 25.0 108.764 170.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 53.5 m-20 -87.37 136.64 32.86 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 118.431 1.116 . . . . 25.0 108.443 177.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -134.3 154.64 51.19 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 121.24 0.543 . . . . 50.0 112.018 -177.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 99.3 t -124.5 114.14 39.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 104.989 -2.226 . . . . 25.0 104.989 171.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 45.2 mt -121.52 131.0 53.9 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.144 -1.058 . . . . 25.0 108.144 -174.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 83.0 mt -132.62 127.08 55.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 107.528 -1.286 . . . . 25.0 107.528 -179.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -91.11 -173.52 43.67 Favored Glycine 0 N--CA 1.452 -0.267 0 CA-C-O 121.629 0.572 . . . . 25.0 113.135 -178.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 83.7 p -123.26 -168.31 1.75 Allowed 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 123.439 0.695 . . . . 25.0 109.491 -178.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -76.21 -16.39 59.85 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 114.877 1.436 . . . . 25.0 114.877 -174.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.2 m -81.03 166.62 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 109.083 -0.71 . . . . 25.0 109.083 178.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.99 134.41 18.51 Favored Glycine 0 N--CA 1.454 -0.125 0 N-CA-C 110.458 -1.057 . . . . 25.0 110.458 178.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -140.3 161.74 36.96 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 117.311 0.556 . . . . 50.0 112.226 -173.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -117.01 121.37 41.16 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 105.49 -2.041 . . . . 25.0 105.49 172.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 59.0 mt -126.65 118.69 51.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 108.082 -1.081 . . . . 25.0 108.082 -175.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.1 m -117.46 127.11 53.69 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.045 -0.525 . . . . 25.0 109.866 -178.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.1 -30.9 18.79 Favored Glycine 0 CA--C 1.517 0.174 0 C-N-CA 121.03 -0.605 . . . . 25.0 114.445 -176.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 74.38 -161.64 53.77 Favored Glycine 0 C--O 1.243 0.674 0 CA-C-N 117.504 0.652 . . . . 25.0 111.744 -178.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.68 178.22 3.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 121.837 -0.802 . . . . 25.0 109.064 177.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.52 171.63 41.9 Favored Glycine 0 C--O 1.243 0.674 0 C-N-CA 121.041 -0.6 . . . . 25.0 112.026 -178.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -86.79 124.07 32.63 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.079 -1.082 . . . . 25.0 108.079 -178.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -130.85 149.9 52.26 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.97 1.1 . . . . 50.0 113.97 -173.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 -108.22 127.64 54.02 Favored 'General case' 0 CA--C 1.506 -0.722 0 N-CA-C 104.875 -2.268 . . . . 25.0 104.875 163.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.7 mp -115.74 142.95 46.06 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 103.269 -2.863 . . . . 25.0 103.269 172.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -142.55 132.5 24.35 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 104.878 -2.267 . . . . 25.0 104.878 176.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -101.94 -22.8 9.72 Favored Glycine 0 C--N 1.318 -0.452 0 N-CA-C 114.183 0.433 . . . . 25.0 114.183 -172.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 64.7 -157.57 45.08 Favored Glycine 0 C--O 1.245 0.831 0 C-N-CA 120.513 -0.851 . . . . 25.0 111.365 -175.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.06 175.24 7.63 Favored 'General case' 0 C--O 1.243 0.729 0 O-C-N 121.992 -0.711 . . . . 25.0 110.548 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.26 166.49 34.25 Favored Glycine 0 C--O 1.238 0.347 0 N-CA-C 110.621 -0.992 . . . . 25.0 110.621 -177.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -82.64 136.78 34.69 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 107.138 -1.43 . . . . 25.0 107.138 -179.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -138.06 153.88 49.31 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 113.649 0.981 . . . . 50.0 113.649 -172.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.4 mp -111.37 126.87 55.38 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 106.533 -1.654 . . . . 25.0 106.533 176.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.1 mp -129.36 109.97 11.53 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 112.788 0.662 . . . . 25.0 112.788 -175.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -95.35 116.48 28.84 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 109.84 -0.43 . . . . 25.0 109.84 178.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -70.35 -52.06 19.0 Favored Glycine 0 C--O 1.247 0.917 0 C-N-CA 120.396 -0.906 . . . . 25.0 113.965 -178.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.81 174.71 45.23 Favored Glycine 0 C--O 1.237 0.307 0 O-C-N 122.334 -0.51 . . . . 25.0 112.292 -178.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.43 156.22 8.21 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 122.034 -0.686 . . . . 25.0 110.305 179.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.27 168.82 40.41 Favored Glycine 0 C--O 1.242 0.644 0 N-CA-C 111.026 -0.83 . . . . 25.0 111.026 -176.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.9 ptp85 -88.4 129.6 35.38 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 107.309 -1.367 . . . . 25.0 107.309 -179.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -130.12 160.07 34.87 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 112.981 0.734 . . . . 50.0 112.981 -171.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? -122.39 112.4 18.04 Favored 'General case' 0 CA--C 1.512 -0.512 0 N-CA-C 106.249 -1.759 . . . . 25.0 106.249 176.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.1 mp -110.81 100.29 9.06 Favored 'General case' 0 C--N 1.321 -0.66 0 O-C-N 123.172 0.295 . . . . 25.0 110.212 -174.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 20.5 m -91.3 114.75 27.36 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.081 -0.711 . . . . 25.0 109.081 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -83.08 -40.97 8.86 Favored Glycine 0 C--O 1.237 0.331 0 C-N-CA 119.798 -1.191 . . . . 25.0 112.759 -177.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.446 ' H ' ' HB2' ' A' ' 77' ' ' ASP . . . 72.68 -163.62 54.78 Favored Glycine 0 C--O 1.242 0.642 0 N-CA-C 111.136 -0.786 . . . . 25.0 111.136 -177.427 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 89.2 mt -64.08 156.63 27.67 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 120.958 0.409 . . . . 25.0 110.527 177.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 92.5 168.28 39.87 Favored Glycine 0 C--O 1.247 0.915 0 CA-C-N 115.359 -0.837 . . . . 25.0 111.166 -179.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -82.95 123.18 29.18 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 106.854 -1.535 . . . . 25.0 106.854 178.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -120.65 141.41 50.39 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 109.556 -0.535 . . . . 50.0 109.556 -175.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.8 t -114.93 122.68 47.03 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 107.847 -1.168 . . . . 25.0 107.847 177.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -104.84 129.54 53.14 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 105.982 -1.858 . . . . 25.0 105.982 -177.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.6 ttt180 -131.81 148.06 52.53 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 114.405 1.261 . . . . 25.0 114.405 -169.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 41.9 p90 -78.07 160.78 27.88 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.043 -0.981 . . . . 25.0 108.697 172.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -128.45 -2.11 5.55 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 109.646 -0.502 . . . . 25.0 109.646 166.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 28.6 tp -154.97 163.36 40.42 Favored 'General case' 0 C--O 1.218 -0.59 0 N-CA-C 107.384 -1.339 . . . . 25.0 107.384 -179.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 40.5 ptt180 -75.46 -17.65 60.09 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 118.775 0.716 . . . . 25.0 111.505 175.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -100.09 13.76 32.99 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 121.859 0.838 . . . . 25.0 110.36 -177.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -57.88 -31.54 66.82 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.299 -0.864 . . . . 25.0 112.348 -178.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 29.1 p -138.77 85.08 2.05 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.993 -0.743 . . . . 25.0 108.993 -179.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -134.23 150.44 51.03 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 116.343 -0.39 . . . . 25.0 110.197 -172.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 77.8 mtt180 -133.11 143.67 49.44 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.585 0.707 . . . . 25.0 110.772 176.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 18.9 t -146.2 156.63 50.32 Favored Pre-proline 0 C--N 1.323 -0.585 0 N-CA-C 105.285 -2.116 . . . . 25.0 105.285 -177.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -67.19 -14.72 44.14 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 115.731 -2.38 . . . . 25.0 112.79 175.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 84.5 mt -81.59 -3.9 54.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.765 0.317 . . . . 25.0 111.39 177.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 152.26 151.11 5.55 Favored Glycine 0 N--CA 1.451 -0.335 0 CA-C-O 121.605 0.559 . . . . 25.0 113.079 179.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.1 t -100.12 143.74 29.96 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.692 -0.855 . . . . 25.0 108.692 178.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -133.58 19.15 3.91 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 107.49 -1.3 . . . . 25.0 107.49 179.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 68.6 p -70.91 154.09 42.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.663 -0.699 . . . . 25.0 110.385 -178.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -105.83 155.42 19.33 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.193 0.52 . . . . 50.0 111.605 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 65.5 tp -121.09 131.34 54.21 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 106.493 -1.669 . . . . 25.0 106.493 175.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 44.5 mt -107.95 146.69 13.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 N-CA-C 104.046 -2.575 . . . . 25.0 104.046 177.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -124.89 148.61 48.2 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 106.754 -1.572 . . . . 25.0 106.754 -176.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.446 ' HB2' ' H ' ' A' ' 49' ' ' GLY . 59.2 m-20 57.53 44.19 21.53 Favored 'General case' 0 C--O 1.245 0.838 0 O-C-N 124.172 0.92 . . . . 25.0 110.337 178.329 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -79.77 124.27 28.45 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.881 0.848 . . . . 25.0 110.536 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -105.02 94.23 7.44 Favored Pre-proline 0 C--N 1.318 -0.768 0 CA-C-N 114.749 -1.114 . . . . 25.0 108.687 178.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -61.41 -16.46 47.42 Favored 'Trans proline' 0 CA--C 1.535 0.559 0 N-CA-C 115.131 1.166 . . . . 25.0 115.131 -179.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.7 t -77.56 -10.93 59.77 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 113.143 0.794 . . . . 25.0 113.143 175.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -140.51 -38.2 0.45 Allowed 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 115.037 1.495 . . . . 25.0 115.037 -173.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -79.45 159.01 27.19 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.278 0.561 . . . . 50.0 112.003 -172.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 32.6 tptt -133.46 149.19 51.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.017 -0.538 . . . . 25.0 111.061 -177.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 49.4 mt -124.96 118.02 51.87 Favored 'Isoleucine or valine' 0 C--O 1.24 0.605 0 N-CA-C 109.351 -0.611 . . . . 25.0 109.351 176.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -87.78 130.95 34.69 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-O 122.11 0.957 . . . . 25.0 108.58 176.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.7 m -138.23 20.99 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.944 0 CA-C-N 113.937 -1.483 . . . . 25.0 110.459 -176.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.8 t -53.22 -37.4 61.99 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 113.909 1.077 . . . . 25.0 113.909 -174.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -75.86 -6.55 51.32 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 113.834 1.05 . . . . 25.0 113.834 179.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 9.9 mt -103.6 -40.22 6.4 Favored 'General case' 0 C--O 1.219 -0.528 0 N-CA-C 107.593 -1.262 . . . . 25.0 107.593 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.303 0 CA-C-N 114.775 -1.102 . . . . 25.0 115.843 175.707 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 33.0 m120 . . . . . 0 N--CA 1.475 0.802 0 N-CA-C 116.645 2.091 . . . . 25.0 116.645 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 82.35 8.72 85.93 Favored Glycine 0 C--N 1.323 -0.148 0 C-N-CA 120.666 -0.778 . . . . 25.0 111.618 -174.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -141.36 168.19 20.36 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 106.893 -1.521 . . . . 25.0 106.893 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 53.26 44.38 30.24 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.248 0.619 . . . . 25.0 112.562 177.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 82.79 0.19 89.98 Favored Glycine 0 CA--C 1.517 0.188 0 C-N-CA 120.796 -0.716 . . . . 25.0 114.828 176.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 51.8 p -102.31 162.52 12.85 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.658 -0.868 . . . . 25.0 108.658 176.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.1 mt -104.45 170.45 7.89 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 107.495 -1.298 . . . . 25.0 107.495 178.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -137.36 140.57 41.51 Favored 'General case' 0 C--N 1.317 -0.807 1 N-CA-C 100.179 -4.008 . . . . 25.0 100.179 167.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 12.2 p -125.91 146.04 32.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 N-CA-C 107.765 -1.198 . . . . 25.0 107.765 -176.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 65.4 p -147.11 165.89 28.59 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 107.88 -1.156 . . . . 25.0 107.88 -177.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 69.0 mt . . . . . 0 C--N 1.322 -0.628 0 N-CA-C 108.838 -0.801 . . . . 25.0 108.838 -177.074 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 29.9 mtt85 . . . . . 0 CA--C 1.508 -0.638 0 N-CA-C 106.716 -1.587 . . . . 25.0 106.716 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 13.5 m -129.19 141.87 51.03 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.871 -0.789 . . . . 25.0 108.871 -178.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -127.69 134.6 49.59 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 107.941 -1.133 . . . . 25.0 107.941 178.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 5.6 mp -123.49 128.43 49.78 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.675 -1.232 . . . . 25.0 107.675 -176.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -131.3 133.75 45.68 Favored 'General case' 0 C--O 1.214 -0.79 0 N-CA-C 109.725 -0.472 . . . . 25.0 109.725 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 27.3 t -136.1 164.55 27.76 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 106.081 -1.822 . . . . 25.0 106.081 175.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 59.9 t80 . . . . . 0 C--N 1.322 -0.589 0 N-CA-C 107.911 -1.144 . . . . 25.0 107.911 179.429 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 50.1 m . . . . . 0 C--O 1.234 0.259 0 CA-C-O 120.91 0.386 . . . . 25.0 110.057 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -130.43 116.66 18.55 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 105.52 -2.03 . . . . 25.0 105.52 176.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -138.44 146.82 42.57 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.272 0.471 . . . . 25.0 112.272 -165.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 5.1 mp -138.88 165.26 27.52 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 107.684 -1.228 . . . . 25.0 107.684 -179.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -144.55 151.69 39.46 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.64 -0.504 . . . . 25.0 109.64 175.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 45.4 mt -125.1 128.89 49.16 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 107.327 -1.36 . . . . 25.0 107.327 177.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -112.48 147.34 36.74 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 106.985 -1.487 . . . . 25.0 106.985 174.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 77.38 29.32 56.22 Favored Glycine 0 C--O 1.223 -0.591 0 N-CA-C 109.719 -1.352 . . . . 25.0 109.719 -178.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -69.07 117.05 10.23 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.061 0.458 . . . . 25.0 111.654 -178.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 76.2 m80 -80.62 78.72 7.34 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.429 0.633 . . . . 25.0 109.716 174.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -61.54 -26.59 68.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.778 -0.646 . . . . 25.0 109.649 176.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.72 -25.82 67.66 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 115.877 -0.601 . . . . 25.0 110.969 176.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 68.0 p -119.69 35.18 4.93 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 111.499 0.185 . . . . 25.0 111.499 178.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.8 pp -56.84 154.72 8.84 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 121.626 0.727 . . . . 25.0 112.603 -176.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 41.2 t -149.57 150.47 32.3 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.685 -0.688 . . . . 25.0 109.902 -178.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -88.66 1.8 54.4 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-O 121.466 0.65 . . . . 25.0 109.608 176.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -99.7 10.27 60.72 Favored Glycine 0 C--O 1.221 -0.665 0 N-CA-C 116.012 1.165 . . . . 25.0 116.012 -175.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -62.51 -43.0 99.89 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 118.819 1.31 . . . . 25.0 112.159 -176.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 58.7 mt -73.31 143.97 13.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 107.385 -1.339 . . . . 25.0 107.385 -177.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 10.6 p -52.99 -34.55 20.92 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 N-CA-C 113.468 0.914 . . . . 25.0 113.468 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 . . . . . 0 C--N 1.327 -0.394 0 N-CA-C 112.822 0.675 . . . . 25.0 112.822 179.436 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 . . . . . 0 N--CA 1.478 0.956 0 N-CA-C 116.763 2.134 . . . . 25.0 116.763 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.1 167.43 45.55 Favored Glycine 0 C--N 1.323 -0.174 0 N-CA-C 110.753 -0.939 . . . . 25.0 110.753 174.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 71.4 p -87.26 -175.22 5.21 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.315 -0.624 . . . . 25.0 109.315 178.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -87.47 6.13 35.55 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.953 0.882 . . . . 25.0 111.041 173.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -89.22 -160.32 36.34 Favored Glycine 0 C--N 1.323 -0.193 0 N-CA-C 108.952 -1.659 . . . . 25.0 108.952 173.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -94.84 121.83 36.84 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 107.752 -1.203 . . . . 25.0 107.752 177.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -124.51 156.99 36.36 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.321 0.582 . . . . 50.0 111.989 -174.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 94.0 t -123.99 114.64 42.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 105.219 -2.141 . . . . 25.0 105.219 170.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.4 mt -113.98 142.32 46.3 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.471 -0.937 . . . . 25.0 108.471 -176.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.482 ' HA ' ' HB3' ' A' ' 29' ' ' ASP . 36.7 mm -125.84 136.69 60.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 107.203 -1.406 . . . . 25.0 107.203 -178.045 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -94.09 -179.34 38.59 Favored Glycine 0 C--O 1.23 -0.156 0 C-N-CA 121.077 -0.582 . . . . 25.0 112.751 179.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 81.2 p -132.84 179.28 6.26 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.243 -1.021 . . . . 25.0 108.243 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -70.75 -24.53 62.63 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 114.884 1.439 . . . . 25.0 114.884 -174.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.5 m -76.98 165.8 2.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.824 -0.435 . . . . 25.0 109.824 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.6 138.11 26.9 Favored Glycine 0 C--N 1.325 -0.083 0 N-CA-C 110.32 -1.112 . . . . 25.0 110.32 177.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -140.29 163.07 33.75 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 112.862 0.69 . . . . 50.0 112.862 -173.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.2 tm0? -119.84 120.82 37.61 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 104.287 -2.486 . . . . 25.0 104.287 172.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 55.9 mt -132.98 105.53 8.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 122.484 1.135 . . . . 25.0 109.998 -177.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.5 p -93.06 139.81 30.15 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-N 114.476 -1.238 . . . . 25.0 108.753 176.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -97.32 -24.57 12.3 Favored Glycine 0 CA--C 1.517 0.165 0 N-CA-C 114.409 0.524 . . . . 25.0 114.409 -178.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.13 -168.43 52.17 Favored Glycine 0 C--O 1.244 0.761 0 CA-C-N 117.324 0.562 . . . . 25.0 112.749 -178.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.96 -179.32 1.84 Allowed 'General case' 0 CA--C 1.538 0.497 0 O-C-N 122.037 -0.684 . . . . 25.0 109.203 176.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.74 171.03 41.42 Favored Glycine 0 C--O 1.241 0.575 0 C-N-CA 121.089 -0.577 . . . . 25.0 112.031 -178.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -93.09 119.42 32.29 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.001 -1.111 . . . . 25.0 108.001 -178.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -127.51 163.27 24.5 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 114.613 1.338 . . . . 50.0 114.613 -170.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 78.1 ttt-85 -116.44 132.62 56.62 Favored 'General case' 0 CA--C 1.51 -0.558 0 N-CA-C 105.535 -2.024 . . . . 25.0 105.535 162.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.2 mp -121.08 149.69 42.34 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 104.753 -2.314 . . . . 25.0 104.753 176.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.482 ' HB3' ' HA ' ' A' ' 11' ' ' ILE . 8.2 t70 -146.18 139.0 25.57 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 104.945 -2.243 . . . . 25.0 104.945 179.014 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -106.16 -19.24 10.24 Favored Glycine 0 C--O 1.226 -0.398 0 O-C-N 123.503 0.502 . . . . 25.0 113.989 -176.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 64.3 -158.48 42.44 Favored Glycine 0 C--O 1.245 0.813 0 N-CA-C 111.43 -0.668 . . . . 25.0 111.43 -175.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.23 175.61 7.42 Favored 'General case' 0 C--O 1.242 0.703 0 O-C-N 121.995 -0.709 . . . . 25.0 109.997 178.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 78.6 167.96 32.98 Favored Glycine 0 C--O 1.24 0.521 0 N-CA-C 111.558 -0.617 . . . . 25.0 111.558 -178.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -81.88 139.53 34.63 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 107.087 -1.449 . . . . 25.0 107.087 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -141.13 153.43 45.38 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 113.712 1.004 . . . . 50.0 113.712 -173.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.3 mp -114.82 116.33 28.41 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 107.447 -1.316 . . . . 25.0 107.447 177.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.5 mp -122.7 134.25 54.47 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 111.732 0.271 . . . . 25.0 111.732 -176.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -115.48 127.06 55.05 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 109.245 -0.65 . . . . 25.0 109.245 177.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -76.75 -46.69 10.8 Favored Glycine 0 C--O 1.246 0.892 0 C-N-CA 119.931 -1.128 . . . . 25.0 113.409 -178.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.48 -177.88 52.34 Favored Glycine 0 C--O 1.245 0.821 0 N-CA-C 110.103 -1.199 . . . . 25.0 110.103 -175.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.53 162.8 9.79 Favored 'General case' 0 C--O 1.244 0.814 0 N-CA-C 109.779 -0.452 . . . . 25.0 109.779 177.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 86.29 170.0 46.5 Favored Glycine 0 C--O 1.238 0.349 0 N-CA-C 110.523 -1.031 . . . . 25.0 110.523 -176.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.8 ptt180 -91.26 136.23 33.24 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 106.605 -1.628 . . . . 25.0 106.605 179.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -133.34 157.28 45.9 Favored 'General case' 0 C--N 1.317 -0.825 0 O-C-N 122.16 -0.337 . . . . 50.0 111.567 -172.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -118.26 105.18 11.5 Favored 'General case' 0 C--O 1.22 -0.493 0 N-CA-C 106.829 -1.545 . . . . 25.0 106.829 175.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.7 mp -104.37 102.7 12.37 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 122.366 0.267 . . . . 25.0 110.983 -174.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.0 m -89.61 113.53 24.99 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.504 -0.554 . . . . 25.0 109.504 -179.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -83.73 -43.1 7.42 Favored Glycine 0 C--O 1.246 0.847 0 C-N-CA 120.058 -1.068 . . . . 25.0 113.123 -176.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.43 -161.39 53.52 Favored Glycine 0 C--O 1.241 0.565 0 C-N-CA 121.045 -0.597 . . . . 25.0 111.611 -178.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 86.7 mt -63.52 155.45 29.34 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.107 0.48 . . . . 25.0 111.101 179.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 92.44 166.55 39.19 Favored Glycine 0 C--O 1.244 0.769 0 CA-C-N 115.186 -0.915 . . . . 25.0 111.266 -179.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -84.27 118.15 24.0 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 107.053 -1.462 . . . . 25.0 107.053 178.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -116.37 139.7 50.13 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.48 -0.563 . . . . 50.0 109.48 -174.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.9 t -113.58 135.04 54.34 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.419 -0.956 . . . . 25.0 108.419 175.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -117.04 114.41 23.73 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 106.598 -1.63 . . . . 25.0 106.598 -177.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 43.3 ttt-85 -114.07 148.76 36.56 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.512 0.672 . . . . 25.0 112.173 -172.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 30.9 p90 -74.35 157.3 35.97 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.167 -1.049 . . . . 25.0 108.167 171.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -111.07 -42.42 3.96 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 107.264 -1.384 . . . . 25.0 107.264 169.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.3 mp -133.58 172.0 13.34 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 107.499 -1.297 . . . . 25.0 107.499 176.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 41.5 ptt180 -65.78 -15.3 62.74 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-O 121.587 0.708 . . . . 25.0 110.958 173.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -80.57 -0.98 40.14 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.37 -0.832 . . . . 25.0 111.987 -178.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.41 -31.91 72.67 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 113.144 0.794 . . . . 25.0 113.144 -176.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.1 m -150.54 98.28 2.62 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.566 0.698 . . . . 25.0 109.652 177.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -140.2 148.66 41.89 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.301 -1.0 . . . . 25.0 108.301 -174.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -136.03 142.19 44.41 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.263 -0.643 . . . . 25.0 109.263 175.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 87.7 p -150.72 168.41 11.07 Favored Pre-proline 0 C--N 1.322 -0.599 0 N-CA-C 104.701 -2.333 . . . . 25.0 104.701 178.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -70.44 -7.68 21.83 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 115.446 -2.569 . . . . 25.0 113.262 177.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 78.9 mt -90.36 -7.75 52.48 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.872 0.323 . . . . 25.0 111.872 179.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 164.88 157.63 9.8 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.365 -0.921 . . . . 25.0 114.464 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.8 t -115.93 124.81 51.5 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.813 0.816 . . . . 25.0 109.438 178.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -122.68 14.21 10.11 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.316 -0.994 . . . . 25.0 108.316 -176.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 55.0 p -67.36 139.83 57.21 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 115.193 -0.912 . . . . 25.0 110.718 -178.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -90.47 154.55 19.56 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.573 0.701 . . . . 50.0 112.517 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.28 130.84 55.62 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 106.156 -1.794 . . . . 25.0 106.156 176.432 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 38.7 mt -107.99 144.94 15.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 N-CA-C 104.358 -2.46 . . . . 25.0 104.358 176.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -122.9 144.1 49.44 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 108.456 -0.942 . . . . 25.0 108.456 -175.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 57.06 50.47 11.97 Favored 'General case' 0 C--O 1.242 0.707 0 O-C-N 124.387 1.054 . . . . 25.0 109.441 178.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -85.96 131.44 34.28 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.462 -1.245 . . . . 25.0 112.04 -176.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -104.58 96.6 10.58 Favored Pre-proline 0 C--N 1.324 -0.515 0 N-CA-C 108.894 -0.78 . . . . 25.0 108.894 178.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -64.17 -15.36 49.0 Favored 'Trans proline' 0 CA--C 1.533 0.467 0 N-CA-C 116.771 1.796 . . . . 25.0 116.771 -175.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 18.3 m -98.09 2.13 48.35 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 113.499 0.925 . . . . 25.0 113.499 175.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -135.6 -37.41 0.76 Allowed 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 113.744 1.016 . . . . 25.0 113.744 -177.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -80.9 172.8 13.29 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 110.122 -0.325 . . . . 50.0 110.122 -176.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 38.1 tptt -139.25 142.58 37.8 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 122.518 0.327 . . . . 25.0 110.77 -176.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 46.4 mt -125.73 115.41 43.06 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 N-CA-C 109.074 -0.713 . . . . 25.0 109.074 176.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -97.5 111.12 23.52 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.27 0.557 . . . . 25.0 110.232 179.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 24.4 m -116.54 26.9 3.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 CA-C-O 122.11 0.957 . . . . 25.0 110.224 -179.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.38 19.91 0.06 Allowed 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 115.548 1.685 . . . . 25.0 115.548 -177.471 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.9 -34.9 79.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.352 0.596 . . . . 25.0 110.009 178.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 16.3 mt -127.61 -44.33 1.53 Allowed 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 106.775 -1.565 . . . . 25.0 106.775 177.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.299 0 N-CA-C 108.369 -1.892 . . . . 25.0 108.369 -175.591 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 8.7 m120 . . . . . 0 N--CA 1.47 0.541 0 N-CA-C 115.047 1.499 . . . . 25.0 115.047 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 78.57 4.19 87.31 Favored Glycine 0 CA--C 1.519 0.34 0 N-CA-C 116.338 1.295 . . . . 25.0 116.338 177.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -141.48 167.43 22.18 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.553 -0.906 . . . . 25.0 108.553 -178.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 53.77 46.41 25.89 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 121.21 0.529 . . . . 25.0 112.349 178.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 74.78 26.87 66.07 Favored Glycine 0 C--O 1.229 -0.197 0 C-N-CA 120.523 -0.846 . . . . 25.0 114.115 176.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 47.0 p -124.81 160.49 28.61 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.173 -0.677 . . . . 25.0 109.173 176.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.7 mt -98.56 171.87 7.86 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.403 -0.962 . . . . 25.0 108.403 179.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -157.45 162.11 38.94 Favored 'General case' 0 C--O 1.24 0.567 0 N-CA-C 104.278 -2.489 . . . . 25.0 104.278 173.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 8.9 p -134.23 153.56 36.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 109.539 -0.541 . . . . 25.0 109.539 -179.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 50.9 m -144.35 159.08 43.32 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 106.76 -1.57 . . . . 25.0 106.76 177.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 48.0 mt . . . . . 0 C--N 1.323 -0.567 0 CA-C-O 121.124 0.488 . . . . 25.0 110.785 -177.07 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 83.4 mtm180 . . . . . 0 C--O 1.239 0.508 0 N-CA-C 107.211 -1.403 . . . . 25.0 107.211 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 16.0 m -133.54 152.42 51.9 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.566 -0.902 . . . . 25.0 108.566 -175.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -134.32 143.68 47.85 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 106.701 -1.592 . . . . 25.0 106.701 179.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.7 mp -124.52 139.48 53.84 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 106.13 -1.804 . . . . 25.0 106.13 -178.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.55 136.49 39.34 Favored 'General case' 0 C--O 1.218 -0.587 0 N-CA-C 112.105 0.409 . . . . 25.0 112.105 -175.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 30.1 t -148.28 160.89 42.51 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 107.897 -1.149 . . . . 25.0 107.897 175.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 4.7 t80 . . . . . 0 C--N 1.325 -0.473 0 N-CA-C 109.663 -0.495 . . . . 25.0 109.663 179.076 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.237 0.437 0 CA-C-O 120.748 0.309 . . . . 25.0 110.86 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -127.76 104.84 8.06 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 105.812 -1.921 . . . . 25.0 105.812 177.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 74.5 mt-10 -134.86 150.28 50.44 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.884 -0.413 . . . . 25.0 109.884 -168.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.7 mp -138.31 172.01 13.54 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 109.186 -0.672 . . . . 25.0 109.186 -176.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -144.54 156.81 44.33 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 120.668 0.27 . . . . 25.0 110.389 174.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 33.9 mt -130.37 130.78 44.82 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 106.566 -1.642 . . . . 25.0 106.566 176.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -118.73 146.15 44.98 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 105.618 -1.993 . . . . 25.0 105.618 174.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 74.73 37.1 46.16 Favored Glycine 0 C--O 1.226 -0.344 0 N-CA-C 108.943 -1.663 . . . . 25.0 108.943 -176.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -82.77 123.76 29.63 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.244 -0.478 . . . . 25.0 110.905 -178.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 73.9 m80 -80.39 75.86 7.21 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.248 0.547 . . . . 25.0 110.197 175.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -61.72 -26.67 68.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.861 -0.609 . . . . 25.0 110.528 177.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.53 -23.54 66.0 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 116.252 -0.431 . . . . 25.0 110.474 175.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 70.3 p -116.55 27.23 9.32 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 112.086 0.402 . . . . 25.0 112.086 177.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.1 pp -59.5 142.19 53.08 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 122.096 0.95 . . . . 25.0 112.284 -174.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 31.2 t -156.12 154.3 30.69 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 104.78 -2.304 . . . . 25.0 104.78 178.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -95.05 -1.4 52.3 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.722 0.296 . . . . 25.0 110.841 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -63.6 -18.4 61.36 Favored Glycine 0 CA--C 1.521 0.435 0 N-CA-C 115.451 0.94 . . . . 25.0 115.451 -176.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 17.2 p30 -71.03 -13.5 62.01 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 114.351 1.241 . . . . 25.0 114.351 -178.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 10.8 pt -78.92 144.27 11.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 121.531 -0.73 . . . . 25.0 110.212 -179.045 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 8.2 p -60.73 -25.91 36.63 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 N-CA-C 112.399 0.518 . . . . 25.0 112.399 -179.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 . . . . . 0 C--N 1.322 -0.613 0 N-CA-C 113.328 0.862 . . . . 25.0 113.328 -177.472 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 . . . . . 0 N--CA 1.485 1.321 0 N-CA-C 117.508 2.41 . . . . 25.0 117.508 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -71.92 147.24 41.16 Favored Glycine 0 C--O 1.227 -0.299 0 C-N-CA 120.035 -1.079 . . . . 25.0 111.802 176.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 68.9 p -86.93 -174.99 5.2 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 107.842 -1.17 . . . . 25.0 107.842 177.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -87.22 5.08 39.9 Favored 'General case' 0 C--N 1.321 -0.659 0 O-C-N 121.16 -0.963 . . . . 25.0 111.449 173.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -89.01 -160.47 36.49 Favored Glycine 0 N--CA 1.459 0.211 0 N-CA-C 108.403 -1.879 . . . . 25.0 108.403 172.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -93.01 128.21 38.8 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.945 -1.131 . . . . 25.0 107.945 177.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -127.62 155.66 43.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.223 0.535 . . . . 50.0 111.919 -176.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 88.0 t -120.48 117.41 53.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 105.167 -2.16 . . . . 25.0 105.167 171.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 70.9 mt -121.66 131.82 54.31 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.33 -0.989 . . . . 25.0 108.33 -175.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 73.8 mt -132.04 128.39 59.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 107.157 -1.423 . . . . 25.0 107.157 -178.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -92.58 163.01 27.07 Favored Glycine 0 N--CA 1.45 -0.387 0 CA-C-O 121.901 0.723 . . . . 25.0 113.334 -179.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 94.1 p -94.19 -177.56 4.33 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 123.834 0.854 . . . . 25.0 109.385 179.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -72.94 -15.25 61.57 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 115.897 1.814 . . . . 25.0 115.897 -176.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.6 m -83.28 166.57 2.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 109.189 -0.671 . . . . 25.0 109.189 177.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.33 137.94 28.48 Favored Glycine 0 CA--C 1.518 0.263 0 C-N-CA 120.526 -0.845 . . . . 25.0 111.09 178.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -144.67 165.4 28.14 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 117.493 0.646 . . . . 75.0 112.319 -173.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -119.74 115.94 24.92 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 106.37 -1.715 . . . . 25.0 106.37 173.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 37.8 mm -118.43 124.57 73.33 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 N-CA-C 109.56 -0.533 . . . . 25.0 109.56 -174.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.7 m -124.06 134.24 53.45 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 110.115 -0.328 . . . . 25.0 110.115 178.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -96.14 -21.8 21.77 Favored Glycine 0 CA--C 1.521 0.407 0 N-CA-C 116.838 1.495 . . . . 25.0 116.838 -174.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.71 -165.09 54.7 Favored Glycine 0 CA--C 1.525 0.709 0 CA-C-N 118.059 0.93 . . . . 25.0 112.589 -178.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.38 -179.87 2.65 Favored 'General case' 0 CA--C 1.535 0.396 0 O-C-N 121.766 -0.844 . . . . 25.0 109.36 177.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.51 170.86 40.62 Favored Glycine 0 C--O 1.243 0.675 0 C-N-CA 121.067 -0.587 . . . . 25.0 112.514 -178.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -91.38 117.39 29.63 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 108.538 -0.912 . . . . 25.0 108.538 -178.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -125.4 169.74 12.06 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 114.024 1.12 . . . . 50.0 114.024 -171.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 52.1 ttt180 -124.53 130.06 51.76 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 107.87 -1.159 . . . . 25.0 107.87 166.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.9 mp -125.45 105.11 8.82 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.295 -0.631 . . . . 25.0 109.295 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -103.4 135.84 44.26 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 106.255 -1.758 . . . . 25.0 106.255 175.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -98.22 -25.53 10.21 Favored Glycine 0 CA--C 1.52 0.397 0 N-CA-C 114.644 0.618 . . . . 25.0 114.644 -176.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 71.6 -159.58 53.85 Favored Glycine 0 C--O 1.243 0.697 0 N-CA-C 111.437 -0.665 . . . . 25.0 111.437 -177.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.86 175.98 6.79 Favored 'General case' 0 C--O 1.245 0.819 0 O-C-N 121.969 -0.724 . . . . 25.0 109.718 178.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.84 166.35 35.33 Favored Glycine 0 N--CA 1.452 -0.263 0 N-CA-C 110.271 -1.132 . . . . 25.0 110.271 -177.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -83.31 129.58 35.01 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 107.078 -1.453 . . . . 25.0 107.078 -179.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -131.41 149.99 52.32 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 113.634 0.976 . . . . 50.0 113.634 -171.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.2 mp -108.66 128.43 54.85 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 106.13 -1.804 . . . . 25.0 106.13 174.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 mp -128.82 117.73 21.56 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 112.157 0.428 . . . . 25.0 112.157 -176.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -115.31 105.9 13.4 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 121.212 0.53 . . . . 25.0 109.759 179.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -64.51 -40.01 97.31 Favored Glycine 0 C--O 1.249 1.058 0 N-CA-C 114.895 0.718 . . . . 25.0 114.895 -176.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.65 179.69 53.0 Favored Glycine 0 CA--C 1.517 0.21 0 N-CA-C 110.62 -0.992 . . . . 25.0 110.62 -177.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.43 157.62 10.9 Favored 'General case' 0 CA--C 1.545 0.75 0 O-C-N 121.905 -0.762 . . . . 25.0 110.538 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.96 166.85 41.8 Favored Glycine 0 C--O 1.243 0.687 0 N-CA-C 110.303 -1.119 . . . . 25.0 110.303 -176.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 -88.54 133.28 34.2 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 107.174 -1.417 . . . . 25.0 107.174 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -128.05 160.8 30.84 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-O 120.971 0.415 . . . . 50.0 110.539 -173.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -122.94 124.18 42.61 Favored 'General case' 0 CA--C 1.509 -0.61 0 N-CA-C 104.466 -2.42 . . . . 25.0 104.466 -178.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.3 mp -128.11 142.28 51.24 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 118.372 0.533 . . . . 25.0 111.649 -172.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.6 m -129.77 107.78 9.67 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.334 -0.617 . . . . 25.0 109.334 179.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -75.35 -39.57 35.73 Favored Glycine 0 C--O 1.241 0.55 0 C-N-CA 120.074 -1.06 . . . . 25.0 114.549 -175.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.03 -162.68 54.11 Favored Glycine 0 C--O 1.236 0.276 0 C-N-CA 121.123 -0.56 . . . . 25.0 112.448 -178.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.5 mt -64.92 160.4 20.68 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-O 120.897 0.379 . . . . 25.0 110.739 178.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 91.46 167.03 40.56 Favored Glycine 0 C--O 1.246 0.857 0 N-CA-C 110.275 -1.13 . . . . 25.0 110.275 -177.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.31 124.8 30.97 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 106.062 -1.829 . . . . 25.0 106.062 177.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -124.16 142.83 50.89 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.79 -0.448 . . . . 50.0 109.79 -175.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.8 t -120.92 135.78 55.11 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.868 0.842 . . . . 25.0 108.997 175.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -113.32 117.31 31.47 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 105.257 -2.127 . . . . 25.0 105.257 -178.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 52.6 ttt85 -123.9 144.83 49.53 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.019 0.914 . . . . 25.0 112.399 -171.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 29.3 p90 -72.84 137.21 45.57 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.486 -1.234 . . . . 25.0 109.503 175.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -98.16 -25.53 14.87 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 108.905 -0.776 . . . . 25.0 108.905 172.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.1 mp -137.48 164.33 28.95 Favored 'General case' 0 C--O 1.214 -0.777 0 N-CA-C 107.398 -1.334 . . . . 25.0 107.398 178.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 37.6 ptt180 -71.57 -14.9 62.23 Favored 'General case' 0 C--O 1.216 -0.694 0 CA-C-O 121.305 0.574 . . . . 25.0 110.913 173.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -103.6 12.04 35.41 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.678 -0.692 . . . . 25.0 109.868 -178.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -60.07 -35.1 74.43 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 116.132 -0.485 . . . . 25.0 110.744 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 39.8 m -139.39 109.79 6.57 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.781 -1.192 . . . . 25.0 107.781 175.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -153.69 153.45 32.28 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.693 -1.225 . . . . 25.0 107.693 -170.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -138.1 144.19 40.75 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 109.349 -0.611 . . . . 25.0 109.349 176.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 86.4 p -154.21 170.14 8.92 Favored Pre-proline 0 C--N 1.323 -0.559 0 N-CA-C 106.287 -1.746 . . . . 25.0 106.287 -178.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -69.48 -8.5 23.77 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 115.382 -2.612 . . . . 25.0 113.642 176.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 75.2 mt -79.4 -11.88 59.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.136 0.493 . . . . 25.0 110.737 177.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 145.16 174.88 17.82 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 121.119 -0.563 . . . . 25.0 113.006 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.0 t -108.14 141.22 40.19 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.592 0.71 . . . . 25.0 109.44 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -130.18 10.35 5.35 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 107.137 -1.431 . . . . 25.0 107.137 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 79.5 p -70.59 140.91 51.8 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-N 115.653 -0.703 . . . . 25.0 110.235 -177.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -88.91 152.1 21.93 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.272 0.558 . . . . 50.0 111.442 179.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.3 mp -121.92 128.32 51.42 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.77 -1.196 . . . . 25.0 107.77 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 12.1 mt -104.23 137.33 33.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 N-CA-C 105.409 -2.071 . . . . 25.0 105.409 175.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -89.63 -34.45 16.3 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.331 -0.85 . . . . 25.0 111.541 -173.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -139.11 119.64 13.97 Favored 'General case' 0 C--O 1.241 0.642 0 N-CA-C 107.276 -1.379 . . . . 25.0 107.276 -178.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -139.23 127.7 22.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.918 0.39 . . . . 25.0 110.047 -178.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -98.29 105.8 31.35 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.585 -0.734 . . . . 25.0 109.571 -179.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -69.54 -7.67 21.59 Favored 'Trans proline' 0 C--O 1.217 -0.544 0 C-N-CA 117.458 -1.228 . . . . 25.0 113.727 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 43.9 t -90.19 -10.84 42.95 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.211 0.448 . . . . 25.0 112.211 176.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 82.4 mm-40 -138.54 -28.21 0.83 Allowed 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 114.686 1.365 . . . . 25.0 114.686 -171.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -100.85 158.52 15.91 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.579 0.585 . . . . 50.0 112.579 -168.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 41.3 tptt -132.03 148.91 52.53 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.008 -0.542 . . . . 25.0 111.74 -174.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 45.8 mt -124.0 115.95 46.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 N-CA-C 109.676 -0.49 . . . . 25.0 109.676 176.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -94.62 116.51 28.85 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.655 -0.498 . . . . 25.0 109.655 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 22.2 m -124.3 28.09 2.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 CA-C-O 122.045 0.926 . . . . 25.0 109.591 -178.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.08 21.56 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 115.013 1.486 . . . . 25.0 115.013 -176.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.08 -40.43 90.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.556 0.693 . . . . 25.0 110.816 -178.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 18.3 mt -131.06 -42.43 1.09 Allowed 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 105.5 -2.037 . . . . 25.0 105.5 177.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.619 0 N-CA-C 108.483 -1.847 . . . . 25.0 108.483 -178.008 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 16.1 m120 . . . . . 0 N--CA 1.48 1.054 0 N-CA-C 116.039 1.866 . . . . 25.0 116.039 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 77.95 4.71 86.2 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 115.621 1.008 . . . . 25.0 115.621 178.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -139.96 167.75 21.4 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 107.202 -1.407 . . . . 25.0 107.202 -179.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 54.02 44.53 29.18 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 121.514 0.673 . . . . 25.0 112.248 177.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 76.56 19.23 78.27 Favored Glycine 0 N--CA 1.452 -0.263 0 N-CA-C 114.653 0.621 . . . . 25.0 114.653 176.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 53.1 p -116.72 158.03 24.5 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 118.072 0.936 . . . . 25.0 110.223 178.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.3 mt -92.5 172.56 8.3 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.306 -0.998 . . . . 25.0 108.306 177.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -159.37 160.03 34.5 Favored 'General case' 0 C--O 1.244 0.769 0 N-CA-C 103.668 -2.716 . . . . 25.0 103.668 173.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 5.4 p -141.43 155.49 20.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.152 0.501 . . . . 25.0 111.466 -177.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 22.2 p -138.84 144.6 39.32 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 100.763 -3.791 . . . . 25.0 100.763 172.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 N--CA 1.477 0.907 0 N-CA-C 118.033 2.605 . . . . 25.0 118.033 -166.104 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 83.5 mtt-85 . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 106.626 -1.62 . . . . 25.0 106.626 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.405 ' HB ' ' HB2' ' A' ' 132' ' ' LEU . 88.5 m -103.91 132.95 49.67 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 107.031 -1.47 . . . . 25.0 107.031 -176.339 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -123.66 134.31 53.77 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.526 -0.916 . . . . 25.0 108.526 178.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.5 mp -110.76 126.99 55.17 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 104.729 -2.322 . . . . 25.0 104.729 178.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -130.49 132.92 45.89 Favored 'General case' 0 C--O 1.217 -0.622 0 CA-C-N 117.761 0.255 . . . . 25.0 111.342 -176.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 32.7 t -141.52 155.24 45.82 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.334 -0.987 . . . . 25.0 108.334 175.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 78.8 t80 . . . . . 0 C--N 1.321 -0.642 0 N-CA-C 108.144 -1.058 . . . . 25.0 108.144 176.018 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 46.3 m . . . . . 0 C--O 1.236 0.346 0 CA-C-O 121.15 0.5 . . . . 25.0 110.239 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -125.75 119.17 27.23 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 105.965 -1.865 . . . . 25.0 105.965 178.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -141.08 152.33 44.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.872 -0.604 . . . . 25.0 109.774 -167.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.0 mp -140.58 166.89 23.5 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 108.364 -0.976 . . . . 25.0 108.364 -179.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -139.3 149.49 44.3 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.944 0.402 . . . . 25.0 111.54 176.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.405 ' HB2' ' HB ' ' A' ' 114' ' ' THR . 35.6 mt -131.04 112.94 13.35 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.429 -1.323 . . . . 25.0 107.429 175.388 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -92.02 157.48 16.76 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 104.267 -2.494 . . . . 25.0 104.267 177.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 59.39 18.0 41.67 Favored Glycine 0 C--O 1.22 -0.741 0 CA-C-O 121.811 0.673 . . . . 25.0 113.782 178.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -67.09 133.6 50.18 Favored 'General case' 0 N--CA 1.444 -0.733 0 O-C-N 122.353 -0.498 . . . . 25.0 111.765 -174.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -73.19 72.8 1.24 Allowed 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 123.161 0.584 . . . . 25.0 111.083 176.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -65.61 -25.14 67.25 Favored 'General case' 0 C--O 1.219 -0.503 0 N-CA-C 109.728 -0.471 . . . . 25.0 109.728 177.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.78 -25.84 67.72 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.247 -0.433 . . . . 25.0 111.676 177.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 42.9 p -127.26 36.61 4.39 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 109.823 -0.436 . . . . 25.0 109.823 178.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.8 pp -58.91 159.69 6.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.902 0.858 . . . . 25.0 112.195 -177.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 41.3 t -148.19 144.59 27.83 Favored 'General case' 0 CA--C 1.508 -0.659 0 N-CA-C 107.106 -1.442 . . . . 25.0 107.106 173.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -84.12 -15.86 45.73 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.308 0.575 . . . . 25.0 109.481 178.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -84.06 10.19 61.35 Favored Glycine 0 CA--C 1.52 0.39 0 N-CA-C 116.187 1.235 . . . . 25.0 116.187 -175.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -67.01 -22.6 65.89 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 118.406 1.103 . . . . 25.0 112.29 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 1.3 pp -79.11 159.19 4.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.394 0.616 . . . . 25.0 111.164 179.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 7.0 p -56.86 -25.14 21.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 N-CA-C 114.366 1.247 . . . . 25.0 114.366 -178.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 . . . . . 0 C--N 1.327 -0.384 0 O-C-N 121.81 -0.556 . . . . 25.0 111.972 -177.87 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.477 0.906 0 CA-C-O 121.017 0.437 . . . . 25.0 111.223 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -95.71 165.68 24.71 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 121.069 -0.586 . . . . 25.0 113.09 -177.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.8 t -98.46 -175.03 2.98 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 104.628 -2.36 . . . . 25.0 104.628 173.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -84.89 2.63 41.78 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 121.075 -1.015 . . . . 25.0 112.492 -178.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -84.8 -172.19 48.89 Favored Glycine 0 CA--C 1.52 0.383 0 N-CA-C 108.97 -1.652 . . . . 25.0 108.97 170.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 38.7 m-20 -83.6 131.24 34.98 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 118.327 1.064 . . . . 25.0 108.407 178.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -127.72 158.72 36.87 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-O 120.985 0.421 . . . . 50.0 112.056 -177.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 84.8 t -123.93 115.93 46.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 104.787 -2.301 . . . . 25.0 104.787 168.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 66.7 mt -118.38 135.87 54.08 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.274 -1.009 . . . . 25.0 108.274 -176.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 71.1 mt -133.32 129.46 56.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 N-CA-C 108.275 -1.009 . . . . 25.0 108.275 -177.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -92.22 170.49 32.96 Favored Glycine 0 C--O 1.228 -0.265 0 CA-C-O 121.617 0.565 . . . . 25.0 114.175 -178.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.9 t -99.03 -175.46 3.04 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 123.468 0.707 . . . . 25.0 109.692 178.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -69.77 -25.91 64.03 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 113.22 0.822 . . . . 25.0 113.22 -177.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 32.9 m -72.6 163.9 3.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 110.103 -0.332 . . . . 25.0 110.103 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.49 136.75 22.59 Favored Glycine 0 CA--C 1.516 0.121 0 N-CA-C 110.555 -1.018 . . . . 25.0 110.555 177.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -141.16 164.88 29.07 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.405 0.622 . . . . 50.0 112.644 -173.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -121.49 118.22 28.79 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 105.663 -1.977 . . . . 25.0 105.663 173.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 57.0 mt -127.1 123.91 63.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 109.832 -0.433 . . . . 25.0 109.832 -172.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 62.8 p -118.4 135.82 54.12 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.005 0.431 . . . . 25.0 110.215 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -91.37 -24.74 25.63 Favored Glycine 0 CA--C 1.517 0.186 0 N-CA-C 115.369 0.908 . . . . 25.0 115.369 -176.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 73.94 -162.73 54.45 Favored Glycine 0 C--O 1.244 0.725 0 CA-C-N 117.729 0.764 . . . . 25.0 111.411 -176.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.4 179.35 3.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 117.857 0.828 . . . . 25.0 109.53 177.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.5 165.66 37.11 Favored Glycine 0 C--O 1.238 0.381 0 N-CA-C 112.042 -0.423 . . . . 25.0 112.042 -178.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -87.02 112.18 21.6 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 107.196 -1.409 . . . . 25.0 107.196 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -118.3 166.53 12.51 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 113.682 0.993 . . . . 50.0 113.682 -171.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.5 ttm180 -123.66 128.71 50.05 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 104.813 -2.292 . . . . 25.0 104.813 168.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.0 mp -121.79 140.84 51.85 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 104.922 -2.251 . . . . 25.0 104.922 177.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -134.14 133.73 41.36 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 104.46 -2.422 . . . . 25.0 104.46 174.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -95.73 -21.04 24.86 Favored Glycine 0 N--CA 1.447 -0.581 0 N-CA-C 111.625 -0.59 . . . . 25.0 111.625 -178.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 66.81 -156.36 51.61 Favored Glycine 0 C--O 1.243 0.694 0 N-CA-C 111.038 -0.825 . . . . 25.0 111.038 -175.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.17 173.61 9.18 Favored 'General case' 0 C--O 1.243 0.757 0 O-C-N 122.037 -0.684 . . . . 25.0 110.049 178.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 81.74 167.23 38.7 Favored Glycine 0 CA--C 1.51 -0.258 0 CA-C-N 115.844 -0.617 . . . . 25.0 111.712 -178.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -85.25 128.16 34.58 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 107.201 -1.407 . . . . 25.0 107.201 -178.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -132.58 153.32 51.12 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 114.026 1.121 . . . . 50.0 114.026 -171.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.2 mp -111.59 122.19 47.16 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 106.868 -1.53 . . . . 25.0 106.868 175.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.3 mp -124.08 124.3 42.22 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.106 0.41 . . . . 25.0 112.106 -177.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -113.02 119.87 39.39 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 116.218 -0.446 . . . . 25.0 110.021 178.459 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -74.5 -46.54 19.16 Favored Glycine 0 C--O 1.247 0.908 0 N-CA-C 115.733 1.053 . . . . 25.0 115.733 -176.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.2 -176.2 54.79 Favored Glycine 0 C--O 1.239 0.451 0 O-C-N 122.017 -0.696 . . . . 25.0 111.898 -177.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.85 155.37 16.46 Favored 'General case' 0 C--O 1.241 0.652 0 O-C-N 121.93 -0.747 . . . . 25.0 109.877 179.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.94 166.94 41.89 Favored Glycine 0 C--O 1.242 0.601 0 N-CA-C 110.806 -0.918 . . . . 25.0 110.806 -177.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.5 ptt180 -90.92 126.79 36.16 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 106.838 -1.542 . . . . 25.0 106.838 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -123.27 160.05 27.47 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-O 121.128 0.489 . . . . 50.0 111.411 -171.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -116.04 108.03 15.7 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 105.798 -1.927 . . . . 25.0 105.798 176.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.3 mt -103.48 97.97 7.93 Favored 'General case' 0 C--N 1.32 -0.678 0 O-C-N 123.746 0.654 . . . . 25.0 110.212 -173.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.9 m -92.48 114.48 27.04 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 108.481 -0.933 . . . . 25.0 108.481 -179.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -83.45 -38.71 10.5 Favored Glycine 0 C--O 1.24 0.475 0 C-N-CA 119.836 -1.173 . . . . 25.0 112.333 -177.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 72.63 -164.3 54.71 Favored Glycine 0 C--O 1.24 0.509 0 N-CA-C 110.939 -0.864 . . . . 25.0 110.939 -177.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.0 mt -65.9 156.72 32.6 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.113 0.482 . . . . 25.0 110.618 178.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.96 165.56 32.79 Favored Glycine 0 C--O 1.242 0.605 0 N-CA-C 110.627 -0.989 . . . . 25.0 110.627 -178.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.88 112.41 21.12 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 106.538 -1.653 . . . . 25.0 106.538 179.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -112.49 152.54 28.65 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.292 -0.413 . . . . 50.0 109.904 -174.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.2 t -125.99 136.17 52.68 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 108.904 -0.776 . . . . 25.0 108.904 174.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -112.36 125.78 54.56 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 106.417 -1.698 . . . . 25.0 106.417 -177.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 42.7 ttt-85 -121.16 148.84 43.68 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.533 0.682 . . . . 25.0 112.126 -171.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 52.2 p90 -76.24 146.95 38.66 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.074 -1.084 . . . . 25.0 108.074 171.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -119.85 -4.03 10.2 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.081 -0.711 . . . . 25.0 109.081 172.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.422 ' HG ' ' H ' ' A' ' 61' ' ' GLU . 26.4 tp -154.99 158.38 39.09 Favored 'General case' 0 C--O 1.221 -0.413 0 N-CA-C 108.726 -0.842 . . . . 25.0 108.726 -177.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 32.2 ptt85 -66.06 -26.13 67.35 Favored 'General case' 0 C--O 1.211 -0.922 0 O-C-N 122.029 -0.42 . . . . 25.0 110.319 174.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.422 ' H ' ' HG ' ' A' ' 59' ' ' LEU . 49.7 mt-10 -101.86 16.17 26.75 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.675 0.75 . . . . 25.0 111.802 -175.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -58.69 -30.9 67.74 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.67 -0.695 . . . . 25.0 111.638 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 45.4 m -127.33 48.88 2.16 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.369 0.668 . . . . 25.0 111.811 -178.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 15.3 t-160 -101.75 142.86 32.43 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 113.642 0.978 . . . . 25.0 113.642 -169.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -129.22 131.93 47.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.388 0.613 . . . . 25.0 109.419 170.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 91.2 p -121.03 166.33 16.17 Favored Pre-proline 0 C--N 1.319 -0.76 0 N-CA-C 106.058 -1.83 . . . . 25.0 106.058 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -71.23 -4.63 15.32 Favored 'Trans proline' 0 CA--C 1.533 0.474 0 C-N-CA 115.572 -2.485 . . . . 25.0 113.071 176.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 68.6 mt -102.58 -4.6 24.99 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 111.763 0.283 . . . . 25.0 111.763 -178.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 165.7 158.27 10.63 Favored Glycine 0 N--CA 1.458 0.133 0 C-N-CA 120.521 -0.847 . . . . 25.0 114.231 -178.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.4 t -112.75 134.13 54.42 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.454 0.645 . . . . 25.0 111.451 -179.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -128.34 15.45 6.65 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.234 -0.894 . . . . 25.0 108.697 -178.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 67.2 p -71.55 146.33 48.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.669 -0.696 . . . . 25.0 110.532 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -93.58 156.41 16.74 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 113.502 0.927 . . . . 50.0 113.502 -177.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.2 mp -117.47 131.55 56.71 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 105.552 -2.018 . . . . 25.0 105.552 175.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 31.0 mt -105.59 142.37 18.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 106.119 -1.808 . . . . 25.0 106.119 177.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -126.31 151.54 47.39 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 108.032 -1.099 . . . . 25.0 108.032 -174.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 54.73 44.6 28.27 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 122.243 1.02 . . . . 25.0 109.849 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -83.97 127.86 34.16 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.602 -1.181 . . . . 25.0 111.478 -178.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -102.56 101.09 18.19 Favored Pre-proline 0 C--N 1.322 -0.598 0 N-CA-C 108.372 -0.973 . . . . 25.0 108.372 178.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -69.01 -4.58 13.81 Favored 'Trans proline' 0 C--N 1.343 0.267 0 N-CA-C 115.16 1.177 . . . . 25.0 115.16 -178.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.7 t -98.74 -3.78 34.98 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 111.823 0.305 . . . . 25.0 111.823 176.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 44.8 mm-40 -140.91 -38.74 0.42 Allowed 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 114.792 1.404 . . . . 25.0 114.792 -173.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -81.41 158.84 24.47 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.864 0.364 . . . . 50.0 111.747 -172.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 27.6 tptt -132.91 152.98 51.81 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 111.877 0.325 . . . . 25.0 111.877 -178.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 20.8 mt -130.71 120.48 48.06 Favored 'Isoleucine or valine' 0 C--O 1.239 0.54 0 CA-C-O 120.853 0.358 . . . . 25.0 111.007 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.0 119.28 35.18 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.311 -0.626 . . . . 25.0 109.311 176.203 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.7 m -130.18 25.31 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 CA-C-O 122.225 1.012 . . . . 25.0 109.353 179.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.31 -13.52 19.79 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 115.323 1.601 . . . . 25.0 115.323 -174.307 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.96 -18.23 61.39 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 112.936 0.717 . . . . 25.0 112.936 178.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 24.2 mt -86.83 -53.27 5.01 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 107.182 -1.414 . . . . 25.0 107.182 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.473 0 N-CA-C 109.238 -1.545 . . . . 25.0 109.238 -176.545 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 . . . . . 0 N--CA 1.469 0.522 0 N-CA-C 110.221 -0.289 . . . . 25.0 110.221 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 83.84 1.88 89.8 Favored Glycine 0 N--CA 1.461 0.336 0 N-CA-C 114.349 0.5 . . . . 25.0 114.349 -177.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.461 ' HA ' ' HB3' ' A' ' 119' ' ' TYR . 87.6 m-85 -139.77 152.83 46.9 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.786 -0.45 . . . . 25.0 109.786 -179.127 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 58.54 48.61 11.69 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 113.844 1.053 . . . . 25.0 113.844 176.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 76.34 31.55 54.38 Favored Glycine 0 CA--C 1.51 -0.248 0 C-N-CA 120.761 -0.733 . . . . 25.0 111.802 174.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 27.9 p -134.8 149.51 50.4 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 105.667 -1.975 . . . . 25.0 105.667 178.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.3 mt -94.97 150.24 20.38 Favored 'General case' 0 C--O 1.217 -0.629 0 N-CA-C 116.203 1.927 . . . . 25.0 116.203 -169.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -145.17 160.32 41.62 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 107.328 -1.36 . . . . 25.0 107.328 168.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 11.6 p -125.68 152.03 32.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 107.11 -1.441 . . . . 25.0 107.11 178.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 46.9 m -145.13 161.66 38.94 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 107.989 -1.115 . . . . 25.0 107.989 178.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 72.3 mt . . . . . 0 C--N 1.324 -0.503 0 N-CA-C 107.82 -1.178 . . . . 25.0 107.82 178.944 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 58.9 mtt85 . . . . . 0 CA--C 1.503 -0.859 0 N-CA-C 107.92 -1.141 . . . . 25.0 107.92 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 13.1 m -131.92 150.12 52.24 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 106.88 -1.526 . . . . 25.0 106.88 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -136.25 149.05 48.32 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.485 -0.932 . . . . 25.0 108.485 -178.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 49.4 mt -130.41 138.94 50.59 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.506 -1.294 . . . . 25.0 107.506 178.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 35.6 tttt -140.6 134.3 30.3 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 113.632 0.975 . . . . 25.0 113.632 -177.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 28.3 t -111.68 -36.91 5.33 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 123.794 0.684 . . . . 25.0 111.452 176.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . 0.461 ' HB3' ' HA ' ' A' ' 99' ' ' TYR . 30.2 t80 . . . . . 0 N--CA 1.481 1.105 0 C-N-CA 123.523 0.729 . . . . 25.0 112.63 179.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.421 ' HA ' ' HA ' ' A' ' 119' ' ' TYR . 9.3 t . . . . . 0 N--CA 1.444 -0.734 0 N-CA-C 109.045 -0.724 . . . . 25.0 109.045 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -131.99 123.22 26.9 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 105.061 -2.2 . . . . 25.0 105.061 175.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -146.26 153.48 40.63 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.669 -1.15 . . . . 25.0 110.352 -168.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 5.3 mp -137.23 165.12 26.9 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 107.489 -1.3 . . . . 25.0 107.489 177.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -143.3 154.58 43.93 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.774 0.321 . . . . 25.0 110.292 176.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 40.4 mt -125.28 131.86 53.01 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 105.226 -2.139 . . . . 25.0 105.226 175.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -114.65 135.17 54.45 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 106.425 -1.694 . . . . 25.0 106.425 177.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 76.31 19.63 78.08 Favored Glycine 0 C--O 1.224 -0.479 0 C-N-CA 120.576 -0.821 . . . . 25.0 112.041 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -64.67 140.99 58.92 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 122.449 -0.442 . . . . 25.0 110.633 -179.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -76.16 78.02 2.98 Favored 'General case' 0 C--O 1.219 -0.549 0 N-CA-C 109.632 -0.507 . . . . 25.0 109.632 174.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -60.8 -29.08 69.23 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.23 0.538 . . . . 25.0 110.094 177.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -62.09 -27.07 68.66 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 115.716 -0.675 . . . . 25.0 111.981 177.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 76.6 p -125.09 28.61 6.34 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 111.97 0.359 . . . . 25.0 111.97 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.7 pp -63.37 154.38 32.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.554 0.692 . . . . 25.0 111.442 -177.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 47.5 t -146.19 153.5 40.7 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.285 -1.005 . . . . 25.0 108.285 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -82.8 11.95 5.37 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 112.702 0.631 . . . . 25.0 112.702 -178.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -103.79 10.16 52.33 Favored Glycine 0 C--O 1.221 -0.66 0 N-CA-C 115.771 1.068 . . . . 25.0 115.771 -176.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -61.34 -42.91 99.47 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 113.775 1.028 . . . . 25.0 113.775 -174.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 98.7 mt -80.71 148.69 5.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 107.422 -1.325 . . . . 25.0 107.422 -175.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 9.9 p -51.4 -33.97 14.8 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 N-CA-C 114.358 1.244 . . . . 25.0 114.358 -178.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 . . . . . 0 C--N 1.328 -0.369 0 N-CA-C 111.888 0.329 . . . . 25.0 111.888 178.888 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 . . . . . 0 CA--C 1.516 -0.354 0 N-CA-C 107.008 -1.478 . . . . 25.0 107.008 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -95.16 -179.1 37.2 Favored Glycine 0 N--CA 1.45 -0.377 0 CA-C-O 121.663 0.591 . . . . 25.0 113.019 -177.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 81.0 p -109.34 -177.16 3.22 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 105.605 -1.998 . . . . 25.0 105.605 176.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -87.87 6.1 37.14 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.854 0.835 . . . . 25.0 111.147 175.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -89.49 -165.24 40.83 Favored Glycine 0 CA--C 1.517 0.188 0 N-CA-C 108.685 -1.766 . . . . 25.0 108.685 171.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -90.2 125.94 35.65 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.342 -0.984 . . . . 25.0 108.342 178.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -123.52 154.06 39.71 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 121.155 0.502 . . . . 50.0 111.752 -177.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 92.2 t -126.52 111.05 24.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 104.427 -2.434 . . . . 25.0 104.427 169.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 85.3 mt -120.5 137.33 54.42 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.829 -0.169 . . . . 25.0 110.673 -175.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 80.1 mt -125.76 127.1 71.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 108.274 -1.01 . . . . 25.0 108.274 179.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -85.67 167.63 40.82 Favored Glycine 0 N--CA 1.452 -0.296 0 CA-C-O 121.652 0.585 . . . . 25.0 113.965 -178.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.1 t -94.96 -178.07 4.37 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 123.703 0.801 . . . . 25.0 110.125 179.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -74.16 -20.45 60.22 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 113.244 0.831 . . . . 25.0 113.244 -178.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.6 m -74.42 164.38 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 109.516 -0.55 . . . . 25.0 109.516 177.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.91 138.8 27.52 Favored Glycine 0 CA--C 1.518 0.221 0 N-CA-C 110.279 -1.128 . . . . 25.0 110.279 177.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -144.48 166.48 25.02 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 117.528 0.664 . . . . 50.0 112.558 -174.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -118.14 122.38 42.92 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 104.937 -2.246 . . . . 25.0 104.937 169.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 33.5 mm -118.38 130.52 73.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 106.97 -1.493 . . . . 25.0 106.97 -175.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 80.6 p -125.74 139.17 53.75 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 121.906 -0.496 . . . . 25.0 110.562 179.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -92.19 -35.08 6.81 Favored Glycine 0 C--O 1.227 -0.292 0 C-N-CA 121.087 -0.577 . . . . 25.0 113.82 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 71.42 -159.96 53.95 Favored Glycine 0 C--O 1.245 0.8 0 N-CA-C 110.378 -1.089 . . . . 25.0 110.378 -176.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.01 178.79 3.56 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 118.3 1.05 . . . . 25.0 108.584 175.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.12 167.03 37.21 Favored Glycine 0 C--O 1.243 0.71 0 C-N-CA 120.846 -0.692 . . . . 25.0 112.728 -179.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -92.48 110.88 22.3 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.366 -0.605 . . . . 25.0 109.366 -175.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -120.05 162.01 19.99 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 114.621 1.341 . . . . 50.0 114.621 -169.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 20.0 ttt85 -124.91 129.99 51.49 Favored 'General case' 0 CA--C 1.51 -0.586 0 N-CA-C 104.732 -2.321 . . . . 25.0 104.732 167.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 61.0 mt -125.66 133.81 52.06 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.062 -1.088 . . . . 25.0 108.062 -178.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -121.67 138.34 54.38 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 105.855 -1.906 . . . . 25.0 105.855 173.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -96.57 -26.31 10.96 Favored Glycine 0 C--N 1.32 -0.325 0 C-N-CA 121.472 -0.394 . . . . 25.0 112.598 -179.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 72.23 -160.38 54.03 Favored Glycine 0 C--O 1.245 0.785 0 N-CA-C 110.827 -0.909 . . . . 25.0 110.827 -176.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.5 175.38 7.09 Favored 'General case' 0 C--O 1.245 0.851 0 O-C-N 122.239 -0.565 . . . . 25.0 109.707 178.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.33 167.92 34.8 Favored Glycine 0 C--O 1.241 0.541 0 N-CA-C 110.565 -1.014 . . . . 25.0 110.565 -177.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -82.58 136.19 34.88 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 106.934 -1.506 . . . . 25.0 106.934 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -137.55 150.5 47.53 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 113.644 0.979 . . . . 50.0 113.644 -173.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.2 mp -109.15 130.49 55.48 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 105.453 -2.055 . . . . 25.0 105.453 175.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.7 mp -131.44 111.33 11.71 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 112.613 0.597 . . . . 25.0 112.613 -177.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -97.64 127.38 43.55 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 122.462 0.305 . . . . 25.0 111.322 179.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -81.94 -55.81 3.05 Favored Glycine 0 C--O 1.251 1.162 0 N-CA-C 116.24 1.256 . . . . 25.0 116.24 -177.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.24 -173.68 55.27 Favored Glycine 0 C--O 1.24 0.517 0 O-C-N 122.25 -0.559 . . . . 25.0 112.241 -177.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.68 162.99 12.17 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 122.288 -0.536 . . . . 25.0 110.682 178.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 85.13 168.11 44.22 Favored Glycine 0 N--CA 1.463 0.468 0 N-CA-C 110.871 -0.891 . . . . 25.0 110.871 -177.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.0 ptp85 -85.8 127.61 34.6 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 118.345 1.072 . . . . 25.0 108.703 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -122.68 148.72 44.96 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 116.143 -0.48 . . . . 50.0 110.715 -173.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? -124.31 103.35 8.17 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 106.119 -1.808 . . . . 25.0 106.119 -178.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.9 mp -108.23 117.19 33.49 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.502 -0.317 . . . . 25.0 111.603 -169.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.7 m -108.71 115.91 30.98 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 122.568 0.347 . . . . 25.0 110.423 -178.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -80.59 -42.03 10.56 Favored Glycine 0 C--O 1.244 0.738 0 C-N-CA 120.01 -1.09 . . . . 25.0 114.326 -176.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 72.71 -163.6 54.8 Favored Glycine 0 CA--C 1.52 0.361 0 N-CA-C 111.119 -0.792 . . . . 25.0 111.119 -177.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 95.5 mt -64.87 158.0 26.37 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-O 121.004 0.43 . . . . 25.0 111.003 178.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 92.22 167.98 40.09 Favored Glycine 0 C--O 1.246 0.893 0 N-CA-C 110.413 -1.075 . . . . 25.0 110.413 -177.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -84.6 123.41 30.29 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 106.51 -1.663 . . . . 25.0 106.51 178.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -121.08 150.02 41.84 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.373 -0.603 . . . . 50.0 109.373 -175.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.7 t -126.25 129.46 48.97 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.741 -0.837 . . . . 25.0 108.741 174.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -107.2 130.86 54.67 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 105.98 -1.859 . . . . 25.0 105.98 -176.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 52.2 ttt180 -127.3 140.03 52.49 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 113.935 1.087 . . . . 25.0 113.935 -169.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -90.26 150.63 21.87 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 114.743 -1.117 . . . . 25.0 108.84 176.133 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -101.73 -44.57 5.51 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.45 -0.574 . . . . 25.0 109.45 177.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 41.0 tp -140.42 158.69 43.62 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 105.987 -1.856 . . . . 25.0 105.987 178.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 39.9 ptt180 -61.17 -20.84 63.2 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-O 121.346 0.593 . . . . 25.0 111.776 179.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -83.27 3.73 30.04 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.826 -0.625 . . . . 25.0 111.163 -178.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -61.38 -32.09 72.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.448 -0.342 . . . . 25.0 110.09 175.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.7 p -131.55 93.58 3.36 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.492 0.663 . . . . 25.0 109.44 -177.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 49.4 t-80 -138.01 153.4 49.4 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.752 -0.658 . . . . 25.0 109.691 -173.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 -132.73 153.56 51.05 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 108.955 -0.757 . . . . 25.0 108.955 175.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 89.1 p -151.08 166.63 14.67 Favored Pre-proline 0 C--N 1.322 -0.599 0 N-CA-C 106.723 -1.584 . . . . 25.0 106.723 -176.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -70.01 -11.32 30.28 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 115.946 -2.236 . . . . 25.0 112.975 176.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 83.1 mt -88.54 -3.02 58.9 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 122.304 0.242 . . . . 25.0 111.496 179.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 144.72 172.25 15.11 Favored Glycine 0 C--O 1.235 0.203 0 C-N-CA 120.754 -0.736 . . . . 25.0 114.073 179.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.8 t -107.2 141.24 38.8 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.289 0.566 . . . . 25.0 111.014 -178.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -128.59 16.95 6.43 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 106.039 -1.837 . . . . 25.0 106.039 177.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 46.4 t -66.33 145.91 55.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.498 -1.228 . . . . 25.0 109.64 -178.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -98.74 148.75 23.55 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.337 -0.392 . . . . 50.0 111.593 -178.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.6 mp -118.11 131.21 56.44 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 106.946 -1.501 . . . . 25.0 106.946 177.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 52.8 mt -106.63 142.23 19.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 N-CA-C 102.839 -3.023 . . . . 25.0 102.839 169.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 40.5 mt -122.48 141.05 52.05 Favored 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 108.812 -0.81 . . . . 25.0 108.812 -172.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 54.68 47.78 21.76 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 122.284 1.04 . . . . 25.0 111.618 174.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -79.42 133.8 36.55 Favored 'General case' 0 C--O 1.241 0.635 0 CA-C-N 114.736 -1.12 . . . . 25.0 111.46 -177.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -98.43 103.11 16.65 Favored Pre-proline 0 N--CA 1.467 0.419 0 CA-C-N 116.183 -0.462 . . . . 25.0 110.066 177.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -73.17 8.27 1.82 Allowed 'Trans proline' 0 CA--C 1.536 0.585 0 N-CA-C 115.004 1.117 . . . . 25.0 115.004 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 19.9 t -107.76 -7.71 16.27 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 115.864 -0.607 . . . . 25.0 110.451 177.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 25.4 mm-40 -141.39 -33.86 0.5 Allowed 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 114.538 1.311 . . . . 25.0 114.538 -174.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -91.71 157.49 16.9 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.289 0.566 . . . . 50.0 112.091 -170.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -135.18 154.61 51.56 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.899 -0.591 . . . . 25.0 110.218 -175.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 42.7 mt -121.64 117.33 52.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 107.769 -1.197 . . . . 25.0 107.769 176.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -86.14 111.76 20.67 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.062 -0.718 . . . . 25.0 109.062 -179.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 23.8 m -132.51 160.1 42.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 108.517 -0.92 . . . . 25.0 108.517 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 48.4 t -156.87 -73.41 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.833 0.309 . . . . 25.0 111.833 178.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -76.87 41.48 0.28 Allowed 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 115.174 1.546 . . . . 25.0 115.174 -174.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 15.6 mt -105.72 -41.98 5.3 Favored 'General case' 0 C--O 1.218 -0.563 0 N-CA-C 106.895 -1.521 . . . . 25.0 106.895 176.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.517 0 N-CA-C 116.752 1.461 . . . . 25.0 116.752 172.681 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 . . . . . 0 N--CA 1.473 0.702 0 N-CA-C 115.753 1.76 . . . . 25.0 115.753 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 77.66 16.27 80.36 Favored Glycine 0 C--N 1.321 -0.268 0 C-N-CA 119.969 -1.11 . . . . 25.0 113.097 -177.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -137.82 166.5 23.85 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.186 -1.042 . . . . 25.0 108.186 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 53.26 42.16 32.11 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.247 0.619 . . . . 25.0 111.88 178.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 80.63 3.46 90.21 Favored Glycine 0 C--O 1.225 -0.431 0 C-N-CA 120.966 -0.635 . . . . 25.0 114.654 177.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 63.4 p -100.02 158.83 15.55 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 118.388 1.094 . . . . 25.0 109.072 178.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 14.2 mt -94.54 171.49 8.77 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 123.534 0.734 . . . . 25.0 109.309 177.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -149.03 153.31 37.69 Favored 'General case' 0 C--O 1.24 0.596 0 N-CA-C 101.158 -3.645 . . . . 25.0 101.158 170.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 9.0 p -140.05 153.92 22.97 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 N-CA-C 113.189 0.811 . . . . 25.0 113.189 -173.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 50.1 m -138.43 148.36 44.34 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 102.196 -3.261 . . . . 25.0 102.196 171.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.7 mp . . . . . 0 N--CA 1.473 0.676 0 N-CA-C 114.738 1.384 . . . . 25.0 114.738 -171.556 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 64.9 mtt85 . . . . . 0 N--CA 1.499 1.977 0 CA-C-O 121.949 0.88 . . . . 25.0 110.515 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 29.1 m -99.95 138.71 36.66 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 107.027 -1.472 . . . . 25.0 107.027 -178.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -132.31 141.13 48.84 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 108.01 -1.107 . . . . 25.0 108.01 178.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 5.1 mp -126.41 129.29 48.46 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 106.432 -1.692 . . . . 25.0 106.432 -179.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -128.98 133.7 47.88 Favored 'General case' 0 C--N 1.322 -0.605 0 O-C-N 122.931 0.144 . . . . 25.0 110.787 -176.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.0 t -143.41 157.13 44.71 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.173 -1.047 . . . . 25.0 108.173 174.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 64.5 t80 . . . . . 0 C--N 1.321 -0.648 0 N-CA-C 106.44 -1.689 . . . . 25.0 106.44 176.407 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 47.7 m . . . . . 0 C--O 1.232 0.156 0 N-CA-C 109.754 -0.461 . . . . 25.0 109.754 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -113.36 109.0 18.0 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 106.414 -1.699 . . . . 25.0 106.414 177.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -136.05 145.76 46.35 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.094 -0.503 . . . . 25.0 110.676 -169.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.8 mp -136.0 166.99 22.06 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.399 0.68 . . . . 25.0 109.873 -176.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -143.29 153.54 42.86 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.673 -0.492 . . . . 25.0 109.673 175.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 13.1 mt -140.72 112.55 7.61 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 108.427 -0.953 . . . . 25.0 108.427 178.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -99.75 155.05 17.84 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.186 -0.672 . . . . 25.0 109.186 -175.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 60.52 27.11 65.44 Favored Glycine 0 C--O 1.221 -0.665 0 C-N-CA 120.906 -0.664 . . . . 25.0 113.157 174.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -84.7 142.94 29.52 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 122.2 -0.588 . . . . 25.0 110.115 -176.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 70.9 m80 -76.55 76.31 3.25 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.386 -0.824 . . . . 25.0 109.915 176.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -64.14 -26.41 68.52 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.062 -0.517 . . . . 25.0 109.72 178.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.65 -26.36 67.96 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.115 -0.493 . . . . 25.0 110.885 176.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 71.1 p -125.28 36.62 4.54 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.756 -0.202 . . . . 25.0 110.561 178.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.8 pp -60.11 153.71 21.17 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.286 0.565 . . . . 25.0 110.775 -177.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 90.8 p -149.31 159.39 44.31 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.653 -0.869 . . . . 25.0 108.653 -179.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -98.62 -6.61 29.53 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 121.206 0.527 . . . . 25.0 110.482 178.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -79.9 0.95 81.18 Favored Glycine 0 C--O 1.221 -0.704 0 CA-C-N 116.162 -0.472 . . . . 25.0 114.156 -176.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -71.88 -14.74 62.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.311 0.577 . . . . 25.0 111.436 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 62.8 mt -85.6 131.44 34.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 105.818 -1.919 . . . . 25.0 105.818 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 10.0 p -55.46 -20.9 8.25 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.773 0 N-CA-C 114.677 1.362 . . . . 25.0 114.677 -177.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 . . . . . 0 C--N 1.326 -0.422 0 O-C-N 121.552 -0.717 . . . . 25.0 111.506 178.901 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 26.5 pt20 . . . . . 0 N--CA 1.478 0.956 0 N-CA-C 112.029 0.381 . . . . 25.0 112.029 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -84.78 162.43 37.46 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.93 -0.653 . . . . 25.0 113.888 -175.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.5 t -137.94 -170.0 2.68 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 106.329 -1.73 . . . . 25.0 106.329 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -69.34 147.29 51.3 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.991 -0.744 . . . . 25.0 108.991 177.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 97.26 -174.43 29.79 Favored Glycine 0 CA--C 1.517 0.167 0 N-CA-C 108.587 -1.805 . . . . 25.0 108.587 -172.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 36.4 m-20 -93.45 134.41 35.73 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 118.347 1.074 . . . . 25.0 110.73 -175.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -126.18 154.21 43.56 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.024 0.44 . . . . 50.0 111.196 -179.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 96.9 t -124.93 113.53 36.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 104.758 -2.312 . . . . 25.0 104.758 170.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 43.1 mt -121.38 133.16 55.09 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.817 -0.809 . . . . 25.0 108.817 -173.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 77.5 mt -132.7 127.0 55.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 107.748 -1.204 . . . . 25.0 107.748 179.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -89.15 -174.98 46.56 Favored Glycine 0 N--CA 1.452 -0.265 0 CA-C-O 121.836 0.687 . . . . 25.0 113.675 -178.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 88.0 p -116.67 -177.02 3.09 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 123.593 0.757 . . . . 25.0 109.35 -178.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -72.31 -14.22 61.69 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 115.618 1.71 . . . . 25.0 115.618 -175.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.8 m -83.06 166.96 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 N-CA-C 109.197 -0.668 . . . . 25.0 109.197 177.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.62 135.72 22.32 Favored Glycine 0 CA--C 1.515 0.078 0 N-CA-C 110.893 -0.883 . . . . 25.0 110.893 178.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -141.61 161.74 37.2 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.232 0.539 . . . . 50.0 112.1 -173.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -119.08 119.32 33.87 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 106.012 -1.847 . . . . 25.0 106.012 172.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 68.9 mt -128.88 127.51 66.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 109.269 -0.641 . . . . 25.0 109.269 -174.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 99.0 p -121.44 142.7 49.78 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.354 -0.609 . . . . 25.0 109.354 174.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -94.29 -22.9 23.52 Favored Glycine 0 C--O 1.235 0.202 0 C-N-CA 121.271 -0.49 . . . . 25.0 112.631 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 71.91 -157.97 53.24 Favored Glycine 0 C--O 1.244 0.719 0 C-N-CA 121.013 -0.613 . . . . 25.0 111.962 -178.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.43 170.1 13.95 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.111 -0.7 . . . . 25.0 109.111 178.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.37 171.53 48.23 Favored Glycine 0 C--O 1.238 0.394 0 N-CA-C 111.581 -0.607 . . . . 25.0 111.581 -179.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -90.77 118.4 30.16 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 107.637 -1.246 . . . . 25.0 107.637 -178.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -126.59 158.09 37.16 Favored 'General case' 0 C--O 1.24 0.581 0 N-CA-C 113.293 0.849 . . . . 50.0 113.293 -171.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 56.6 ttt85 -110.1 129.89 55.62 Favored 'General case' 0 CA--C 1.509 -0.624 0 N-CA-C 105.139 -2.171 . . . . 25.0 105.139 164.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.8 mp -116.03 140.5 49.21 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 103.335 -2.839 . . . . 25.0 103.335 172.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -141.05 131.54 25.34 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 104.745 -2.317 . . . . 25.0 104.745 177.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -101.34 -22.42 10.55 Favored Glycine 0 C--N 1.319 -0.403 0 N-CA-C 114.124 0.41 . . . . 25.0 114.124 -173.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 64.67 -155.93 47.1 Favored Glycine 0 C--O 1.245 0.834 0 C-N-CA 120.536 -0.84 . . . . 25.0 111.307 -174.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.33 174.92 8.16 Favored 'General case' 0 C--O 1.242 0.67 0 O-C-N 121.696 -0.885 . . . . 25.0 110.788 179.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 81.63 163.75 32.02 Favored Glycine 0 C--O 1.234 0.103 0 N-CA-C 110.468 -1.053 . . . . 25.0 110.468 -177.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -81.45 132.47 35.32 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 106.781 -1.563 . . . . 25.0 106.781 -179.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -134.52 153.89 51.72 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 113.604 0.964 . . . . 50.0 113.604 -172.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.7 mp -110.94 125.41 53.66 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.268 -1.382 . . . . 25.0 107.268 175.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.6 mp -125.16 108.39 11.73 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.177 0.513 . . . . 25.0 112.123 -176.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -96.92 105.76 17.96 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 109.525 -0.546 . . . . 25.0 109.525 177.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -62.59 -44.34 97.68 Favored Glycine 0 C--O 1.246 0.859 0 C-N-CA 120.481 -0.866 . . . . 25.0 113.358 -177.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.31 174.15 45.4 Favored Glycine 0 CA--C 1.518 0.257 0 O-C-N 122.136 -0.626 . . . . 25.0 111.759 -179.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.6 152.95 11.05 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 122.133 -0.628 . . . . 25.0 110.233 178.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 94.96 170.39 36.78 Favored Glycine 0 C--O 1.24 0.521 0 N-CA-C 110.08 -1.208 . . . . 25.0 110.08 -175.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.2 ptp85 -91.56 133.18 35.75 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 106.791 -1.559 . . . . 25.0 106.791 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -131.68 162.48 30.33 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 112.647 0.61 . . . . 50.0 112.647 -171.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -121.99 110.4 15.77 Favored 'General case' 0 CA--C 1.511 -0.533 0 N-CA-C 106.135 -1.802 . . . . 25.0 106.135 176.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.5 mp -107.98 105.67 15.55 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.343 -0.614 . . . . 25.0 109.343 -173.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.6 m -97.01 113.44 24.98 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.296 -1.001 . . . . 25.0 108.296 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -81.57 -39.81 11.78 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 119.658 -1.258 . . . . 25.0 112.786 -176.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.464 ' H ' ' HB2' ' A' ' 77' ' ' ASP . . . 74.64 -164.17 54.54 Favored Glycine 0 C--O 1.243 0.716 0 N-CA-C 111.04 -0.824 . . . . 25.0 111.04 -177.323 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.9 mp -63.88 154.09 34.84 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.39 -0.596 . . . . 25.0 109.39 178.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 95.86 166.08 34.45 Favored Glycine 0 C--O 1.244 0.735 0 N-CA-C 111.272 -0.731 . . . . 25.0 111.272 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -82.1 120.38 25.24 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 106.449 -1.686 . . . . 25.0 106.449 178.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -119.79 144.21 47.43 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 109.375 -0.602 . . . . 50.0 109.375 -175.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 6.8 t -114.35 128.03 56.15 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.362 -0.977 . . . . 25.0 108.362 175.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -109.21 121.52 45.34 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 105.714 -1.958 . . . . 25.0 105.714 -177.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 75.2 ttt-85 -132.67 146.39 51.83 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 114.559 1.318 . . . . 25.0 114.559 -163.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 35.0 p90 -77.12 152.35 34.97 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.016 -0.993 . . . . 25.0 111.28 176.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -108.18 -28.67 9.35 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 109.144 -0.687 . . . . 25.0 109.144 169.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -133.87 163.73 28.85 Favored 'General case' 0 C--O 1.214 -0.787 0 N-CA-C 106.787 -1.56 . . . . 25.0 106.787 178.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.22 -14.25 62.53 Favored 'General case' 0 C--O 1.212 -0.872 0 O-C-N 121.609 -0.682 . . . . 25.0 111.827 175.138 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -102.84 12.32 36.34 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.134 0.574 . . . . 25.0 111.216 -178.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -53.82 -36.21 62.27 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 113.814 1.042 . . . . 25.0 113.814 -175.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.8 p -142.45 100.59 3.72 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.887 -0.783 . . . . 25.0 108.887 178.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 36.0 p-80 -140.93 169.87 16.81 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.449 -0.341 . . . . 25.0 110.555 -176.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -135.88 149.68 49.09 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.724 -1.214 . . . . 25.0 107.724 176.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 99.3 p -155.21 170.67 8.3 Favored Pre-proline 0 C--N 1.321 -0.638 0 N-CA-C 106.016 -1.846 . . . . 25.0 106.016 -176.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -70.3 -8.16 22.95 Favored 'Trans proline' 0 CA--C 1.537 0.644 0 C-N-CA 115.115 -2.79 . . . . 25.0 113.579 176.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.9 mp -77.31 -11.92 59.89 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 109.75 -0.463 . . . . 25.0 109.75 175.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 141.59 175.3 15.0 Favored Glycine 0 N--CA 1.451 -0.302 0 CA-C-O 121.967 0.76 . . . . 25.0 112.929 178.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.5 t -97.55 131.48 44.11 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.94 -0.763 . . . . 25.0 108.94 177.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -126.18 22.38 7.23 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 107.46 -1.311 . . . . 25.0 107.46 -179.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 68.3 p -72.72 152.31 41.73 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.271 -0.877 . . . . 25.0 110.916 -178.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -96.24 155.42 16.77 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.201 -0.454 . . . . 50.0 109.832 177.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.6 mp -123.38 131.27 53.6 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 106.818 -1.549 . . . . 25.0 106.818 177.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 61.5 mt -108.0 144.88 15.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 106.538 -1.653 . . . . 25.0 106.538 -178.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -124.67 152.98 42.99 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 108.013 -1.106 . . . . 25.0 108.013 -175.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.464 ' HB2' ' H ' ' A' ' 49' ' ' GLY . 65.7 m-20 56.58 44.44 23.98 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-O 122.119 0.961 . . . . 25.0 110.137 178.616 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -83.74 123.94 30.37 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.674 -1.148 . . . . 25.0 112.174 -177.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -95.89 104.94 18.3 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.154 -0.93 . . . . 25.0 108.778 177.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_endo -69.64 -6.0 17.48 Favored 'Trans proline' 0 C--N 1.345 0.38 0 N-CA-C 115.095 1.152 . . . . 25.0 115.095 -177.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.1 m -101.66 -2.24 30.81 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.598 0.592 . . . . 25.0 112.598 178.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -142.11 -38.17 0.38 Allowed 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 115.158 1.54 . . . . 25.0 115.158 -174.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -77.36 157.5 30.61 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.327 0.585 . . . . 50.0 111.589 -172.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 22.6 tptt -129.55 151.57 50.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.505 . . . . 25.0 111.783 -176.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 33.1 mt -128.66 115.94 39.32 Favored 'Isoleucine or valine' 0 C--O 1.245 0.868 0 N-CA-C 109.699 -0.482 . . . . 25.0 109.699 179.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -88.72 112.97 23.78 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.497 -0.557 . . . . 25.0 109.497 178.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 16.4 m -130.11 29.16 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 107.693 -1.225 . . . . 25.0 107.693 175.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.21 -8.7 18.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.661 -1.154 . . . . 25.0 113.515 -177.662 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.25 -17.24 63.74 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.217 0.451 . . . . 25.0 112.217 177.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 15.5 mt -116.07 -58.4 2.11 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.728 0.775 . . . . 25.0 109.669 -176.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.237 0 N-CA-C 108.587 -1.805 . . . . 25.0 108.587 -172.764 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 . . . . . 0 N--CA 1.471 0.588 0 CA-C-O 121.098 0.475 . . . . 25.0 109.874 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 76.04 -8.37 23.81 Favored Glycine 0 N--CA 1.463 0.434 0 N-CA-C 116.286 1.274 . . . . 25.0 116.286 -178.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -141.42 167.76 21.39 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 107.779 -1.193 . . . . 25.0 107.779 -176.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 55.6 50.97 13.38 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.391 0.676 . . . . 25.0 111.409 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 71.52 25.68 74.75 Favored Glycine 0 C--O 1.226 -0.365 0 CA-C-N 115.665 -0.698 . . . . 25.0 114.475 174.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 34.7 p -127.58 166.6 17.73 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.101 -0.703 . . . . 25.0 109.101 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -102.2 168.57 9.27 Favored 'General case' 0 C--O 1.213 -0.849 0 N-CA-C 112.774 0.657 . . . . 25.0 112.774 -174.555 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -147.58 142.86 27.29 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 104.105 -2.554 . . . . 25.0 104.105 170.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 12.6 p -128.55 146.65 33.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 107.359 -1.348 . . . . 25.0 107.359 -179.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 56.4 p -149.2 164.14 35.62 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 106.842 -1.54 . . . . 25.0 106.842 178.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 54.4 mt . . . . . 0 C--N 1.322 -0.62 0 N-CA-C 108.421 -0.955 . . . . 25.0 108.421 -176.678 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 . . . . . 0 CA--C 1.506 -0.73 0 N-CA-C 106.684 -1.599 . . . . 25.0 106.684 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 17.2 m -128.77 143.52 50.94 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 108.291 -1.003 . . . . 25.0 108.291 -178.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -127.93 138.47 52.65 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.297 -1.001 . . . . 25.0 108.297 178.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 68.6 mt -119.62 130.27 55.02 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 107.255 -1.387 . . . . 25.0 107.255 -178.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.69 133.49 43.6 Favored 'General case' 0 C--O 1.217 -0.654 0 N-CA-C 110.205 -0.294 . . . . 25.0 110.205 -179.342 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 39.0 t -144.72 155.55 43.62 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 106.789 -1.56 . . . . 25.0 106.789 174.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 88.0 t80 . . . . . 0 C--N 1.319 -0.721 0 N-CA-C 106.415 -1.698 . . . . 25.0 106.415 174.793 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 48.4 m . . . . . 0 CA--C 1.515 -0.384 0 N-CA-C 108.36 -0.978 . . . . 25.0 108.36 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -119.2 109.93 16.43 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 105.828 -1.916 . . . . 25.0 105.828 177.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -136.84 146.62 45.83 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.808 -0.633 . . . . 25.0 109.429 -169.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.6 mp -140.85 167.16 22.83 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 108.453 -0.943 . . . . 25.0 108.453 -177.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -139.15 152.34 47.36 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.836 -0.431 . . . . 25.0 109.836 175.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 64.5 mt -126.82 137.6 53.22 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 106.205 -1.776 . . . . 25.0 106.205 176.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -123.13 148.71 45.41 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.712 -0.477 . . . . 25.0 109.712 176.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 83.01 22.5 57.43 Favored Glycine 0 C--N 1.33 0.245 0 CA-C-O 121.68 0.6 . . . . 25.0 112.559 177.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 35.4 m120 -68.32 141.36 55.84 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.774 0.797 . . . . 25.0 112.35 -176.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -80.08 92.59 5.65 Favored 'General case' 0 C--O 1.217 -0.651 0 N-CA-C 107.304 -1.369 . . . . 25.0 107.304 173.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -60.26 -33.65 72.6 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.987 -0.746 . . . . 25.0 108.987 178.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.89 -27.82 69.07 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.241 -0.891 . . . . 25.0 111.91 178.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 69.8 p -129.02 33.43 4.59 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 112.398 0.518 . . . . 25.0 112.398 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.4 pp -62.75 149.61 43.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.434 0.635 . . . . 25.0 111.199 -175.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 40.4 t -152.43 156.15 38.94 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.719 -0.845 . . . . 25.0 108.719 -176.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -104.37 -2.39 25.53 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 122.577 0.351 . . . . 25.0 111.124 178.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -78.24 12.65 18.42 Favored Glycine 0 N--CA 1.463 0.463 0 N-CA-C 115.2 0.84 . . . . 25.0 115.2 -175.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -70.75 -20.85 62.58 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 113.202 0.816 . . . . 25.0 113.202 -176.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -70.56 142.48 15.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.391 0.615 . . . . 25.0 111.294 -176.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 9.6 p -58.8 -20.67 17.36 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 CA-C-N 115.4 -0.818 . . . . 25.0 112.66 179.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 . . . . . 0 C--N 1.327 -0.397 0 N-CA-C 112.611 0.597 . . . . 25.0 112.611 -179.373 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 . . . . . 0 N--CA 1.478 0.95 0 N-CA-C 112.553 0.575 . . . . 25.0 112.553 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -99.23 179.91 31.1 Favored Glycine 0 CA--C 1.511 -0.208 0 N-CA-C 115.515 0.966 . . . . 25.0 115.515 -173.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.6 t -123.52 -177.46 3.73 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 104.579 -2.378 . . . . 25.0 104.579 175.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -83.42 3.04 33.62 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 120.72 -1.237 . . . . 25.0 113.251 -177.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -86.09 -170.65 47.21 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 108.886 -1.686 . . . . 25.0 108.886 170.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 43.2 m-20 -82.44 136.37 34.94 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 118.796 1.298 . . . . 25.0 108.654 177.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -129.5 152.08 49.43 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 121.086 0.469 . . . . 50.0 111.703 -178.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 99.3 t -128.53 114.22 32.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 104.498 -2.408 . . . . 25.0 104.498 170.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 67.8 mt -130.79 140.98 50.33 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.473 -0.33 . . . . 25.0 110.576 -174.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 74.1 mt -130.68 129.85 64.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 107.242 -1.392 . . . . 25.0 107.242 179.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -86.44 -176.06 49.63 Favored Glycine 0 C--O 1.227 -0.33 0 CA-C-O 121.762 0.645 . . . . 25.0 113.395 -179.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 79.9 p -114.1 -179.78 3.73 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 123.557 0.743 . . . . 25.0 109.691 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -73.96 -12.58 60.69 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 115.302 1.593 . . . . 25.0 115.302 -175.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.3 m -84.71 168.38 1.7 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.438 0 N-CA-C 109.063 -0.717 . . . . 25.0 109.063 178.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.48 137.88 26.71 Favored Glycine 0 CA--C 1.517 0.193 0 N-CA-C 110.818 -0.913 . . . . 25.0 110.818 177.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -142.8 164.71 29.36 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.385 0.612 . . . . 50.0 112.055 -173.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -126.91 114.57 18.04 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 105.888 -1.893 . . . . 25.0 105.888 173.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 62.4 mt -128.37 123.7 60.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.352 -0.61 . . . . 25.0 109.352 -174.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 92.1 p -113.84 139.68 48.95 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.723 -0.473 . . . . 25.0 109.723 176.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -93.62 -25.75 17.25 Favored Glycine 0 C--O 1.227 -0.312 0 C-N-CA 121.337 -0.458 . . . . 25.0 113.868 -178.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.51 -158.55 53.3 Favored Glycine 0 C--O 1.242 0.655 0 CA-C-N 117.804 0.802 . . . . 25.0 112.054 -177.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.09 179.6 3.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 121.92 -0.753 . . . . 25.0 109.776 178.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.71 167.27 38.71 Favored Glycine 0 C--O 1.24 0.498 0 C-N-CA 121.279 -0.486 . . . . 25.0 112.078 -178.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -89.66 113.0 24.41 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 107.272 -1.381 . . . . 25.0 107.272 -179.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -119.43 164.21 16.08 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 113.801 1.038 . . . . 50.0 113.801 -171.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -128.51 114.31 16.6 Favored 'General case' 0 CA--C 1.511 -0.541 0 N-CA-C 105.768 -1.938 . . . . 25.0 105.768 172.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -112.22 139.81 47.45 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 106.154 -1.795 . . . . 25.0 106.154 -178.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -135.25 135.62 41.05 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 104.925 -2.25 . . . . 25.0 104.925 173.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -99.88 -20.92 15.06 Favored Glycine 0 N--CA 1.449 -0.434 0 O-C-N 123.258 0.349 . . . . 25.0 113.292 -176.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 64.6 -158.63 43.3 Favored Glycine 0 C--O 1.246 0.858 0 C-N-CA 120.88 -0.676 . . . . 25.0 111.842 -175.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.39 174.74 7.71 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.681 -0.893 . . . . 25.0 110.135 178.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 83.26 164.64 36.52 Favored Glycine 0 C--O 1.236 0.242 0 N-CA-C 110.927 -0.869 . . . . 25.0 110.927 -178.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -83.22 126.57 32.79 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 107.682 -1.229 . . . . 25.0 107.682 -178.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -131.41 151.67 51.33 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 114.614 1.339 . . . . 50.0 114.614 -171.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.0 mp -110.19 118.61 36.82 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 107.149 -1.426 . . . . 25.0 107.149 174.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.8 mp -123.71 115.9 22.17 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.52 0.676 . . . . 25.0 111.935 -177.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -104.13 115.87 31.19 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.037 -0.529 . . . . 25.0 109.69 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -71.33 -44.3 52.4 Favored Glycine 0 C--O 1.246 0.849 0 C-N-CA 120.712 -0.756 . . . . 25.0 113.727 -176.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.02 178.32 41.42 Favored Glycine 0 CA--C 1.522 0.487 0 C-N-CA 121.329 -0.462 . . . . 25.0 112.625 -178.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.69 154.92 10.78 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.91 -0.759 . . . . 25.0 110.421 179.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 97.13 172.84 34.16 Favored Glycine 0 C--O 1.239 0.434 0 N-CA-C 110.344 -1.102 . . . . 25.0 110.344 -176.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.9 ptp85 -99.33 118.46 36.03 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 107.576 -1.268 . . . . 25.0 107.576 -178.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -122.07 167.48 13.09 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 113.392 0.886 . . . . 50.0 113.392 -166.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -127.01 132.01 50.87 Favored 'General case' 0 CA--C 1.509 -0.631 0 N-CA-C 104.199 -2.519 . . . . 25.0 104.199 176.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.9 mp -131.64 99.13 4.69 Favored 'General case' 0 C--N 1.321 -0.653 0 O-C-N 123.658 0.599 . . . . 25.0 110.479 -175.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 28.7 m -87.97 115.91 25.77 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 107.84 -1.17 . . . . 25.0 107.84 178.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -83.05 -42.19 8.21 Favored Glycine 0 C--O 1.238 0.385 0 C-N-CA 119.861 -1.161 . . . . 25.0 111.001 -179.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.54 -163.89 53.01 Favored Glycine 0 C--O 1.242 0.617 0 N-CA-C 111.404 -0.678 . . . . 25.0 111.404 -179.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.9 mt -62.43 154.54 28.0 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 121.058 0.456 . . . . 25.0 110.869 178.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 94.58 164.53 35.76 Favored Glycine 0 C--O 1.245 0.816 0 N-CA-C 110.553 -1.019 . . . . 25.0 110.553 -178.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.38 122.57 28.65 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 106.017 -1.846 . . . . 25.0 106.017 178.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -121.18 152.05 39.23 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 109.523 -0.547 . . . . 50.0 109.523 -175.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.1 t -123.18 138.73 54.58 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.106 -1.072 . . . . 25.0 108.106 174.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -119.29 129.01 54.68 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 107.848 -1.168 . . . . 25.0 107.848 -176.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 53.7 ttt85 -131.29 141.88 50.04 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 115.613 1.708 . . . . 25.0 115.613 -169.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 48.0 p90 -73.51 162.43 29.27 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 114.648 -1.16 . . . . 25.0 111.699 174.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -128.02 -5.14 5.61 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 116.386 -0.37 . . . . 25.0 110.833 166.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 21.5 tp -157.22 167.02 31.58 Favored 'General case' 0 C--O 1.22 -0.466 0 N-CA-C 107.885 -1.154 . . . . 25.0 107.885 -176.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 36.3 ptt180 -78.66 -23.34 45.78 Favored 'General case' 0 C--O 1.206 -1.204 0 CA-C-N 119.083 0.856 . . . . 25.0 110.404 173.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -97.95 17.09 19.05 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 123.086 1.422 . . . . 25.0 109.302 -176.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -63.11 -34.98 78.78 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 113.32 -1.764 . . . . 25.0 110.841 176.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.0 t -145.7 100.33 3.41 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 105.714 -1.958 . . . . 25.0 105.714 175.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 25.3 t-80 -155.56 114.7 3.57 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.367 -0.975 . . . . 25.0 108.367 -168.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.8 mtm180 -104.02 125.25 50.24 Favored 'General case' 0 C--O 1.217 -0.622 0 CA-C-O 121.004 0.43 . . . . 25.0 109.964 -176.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 60.3 p -149.26 160.64 34.26 Favored Pre-proline 0 C--N 1.326 -0.441 0 N-CA-C 108.064 -1.087 . . . . 25.0 108.064 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -71.53 -15.96 30.65 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 117.13 -1.447 . . . . 25.0 113.048 178.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 75.3 mt -82.22 -7.52 59.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.463 0.649 . . . . 25.0 110.374 179.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 159.69 106.39 0.22 Allowed Glycine 0 N--CA 1.449 -0.461 0 N-CA-C 108.985 -1.646 . . . . 25.0 108.985 -177.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.6 t -97.32 118.11 33.05 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.636 0.732 . . . . 25.0 110.828 -177.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -125.55 137.61 53.93 Favored 'General case' 0 C--O 1.216 -0.704 0 N-CA-C 105.76 -1.941 . . . . 25.0 105.76 177.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 45.0 t -153.86 147.61 25.32 Favored 'General case' 0 CA--C 1.492 -1.286 0 N-CA-C 104.214 -2.513 . . . . 25.0 104.214 178.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -104.29 150.51 24.38 Favored 'General case' 0 C--N 1.312 -1.026 0 N-CA-C 107.848 -1.167 . . . . 50.0 107.848 176.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.72 132.66 55.18 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 106.193 -1.78 . . . . 25.0 106.193 178.384 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 38.9 mt -107.92 142.25 21.09 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.718 0 N-CA-C 103.368 -2.827 . . . . 25.0 103.368 175.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -124.12 149.93 45.67 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 106.836 -1.542 . . . . 25.0 106.836 -175.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 53.54 47.78 23.2 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 122.354 1.073 . . . . 25.0 108.88 -178.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -80.18 130.04 34.93 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.303 -1.317 . . . . 25.0 110.957 -176.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -105.69 91.07 4.72 Favored Pre-proline 0 C--N 1.324 -0.511 0 N-CA-C 108.709 -0.848 . . . . 25.0 108.709 177.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.481 ' HG2' ' HG1' ' A' ' 139' ' ' THR . 71.2 Cg_endo -66.66 -2.02 6.81 Favored 'Trans proline' 0 CA--C 1.534 0.52 0 N-CA-C 115.221 1.2 . . . . 25.0 115.221 -179.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.9 t -99.38 -4.39 31.7 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 112.085 0.402 . . . . 25.0 112.085 176.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 60.8 mm-40 -139.87 -34.07 0.57 Allowed 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 114.341 1.237 . . . . 25.0 114.341 -173.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -82.47 175.21 10.39 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.314 0.578 . . . . 50.0 111.572 -171.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 39.4 tptt -144.45 146.13 32.28 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 122.153 -0.342 . . . . 25.0 110.262 -179.045 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 41.8 mt -127.09 121.19 57.29 Favored 'Isoleucine or valine' 0 C--O 1.243 0.727 0 CA-C-O 121.517 0.675 . . . . 25.0 110.31 178.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.34 122.52 30.42 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.082 -1.081 . . . . 25.0 108.082 176.011 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 26.9 m -131.67 16.95 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 CA-C-O 121.062 0.458 . . . . 25.0 112.233 -177.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.2 t -55.18 -38.73 68.72 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 114.65 1.352 . . . . 25.0 114.65 -173.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.15 -22.94 62.94 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 112.855 0.687 . . . . 25.0 112.855 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 23.4 mt -81.48 -59.26 2.68 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 106.364 -1.717 . . . . 25.0 106.364 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.602 0 CA-C-N 114.463 -1.244 . . . . 25.0 111.902 -178.461 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 . . . . . 0 N--CA 1.476 0.846 0 N-CA-C 112.049 0.389 . . . . 25.0 112.049 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 75.71 -1.07 59.55 Favored Glycine 0 N--CA 1.46 0.286 0 N-CA-C 117.297 1.679 . . . . 25.0 117.297 178.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.406 ' HA ' ' HB3' ' A' ' 119' ' ' TYR . 96.3 m-85 -136.77 160.13 39.78 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 117.634 0.717 . . . . 25.0 110.597 -178.009 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 52.98 49.13 20.87 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 113.007 0.744 . . . . 25.0 113.007 176.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 83.71 -0.98 89.35 Favored Glycine 0 N--CA 1.453 -0.202 0 N-CA-C 114.791 0.676 . . . . 25.0 114.791 176.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 34.6 p -100.23 159.0 15.46 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 107.467 -1.309 . . . . 25.0 107.467 179.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 74.9 mt -99.43 164.43 12.1 Favored 'General case' 0 C--O 1.215 -0.76 0 N-CA-C 113.375 0.88 . . . . 25.0 113.375 -171.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -132.37 121.28 23.24 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 105.384 -2.08 . . . . 25.0 105.384 169.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 7.3 p -109.6 142.33 22.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 N-CA-C 106.621 -1.622 . . . . 25.0 106.621 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 47.8 p -139.73 155.87 47.1 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 107.139 -1.43 . . . . 25.0 107.139 178.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 61.9 mt . . . . . 0 C--N 1.323 -0.572 0 N-CA-C 108.987 -0.745 . . . . 25.0 108.987 -174.846 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 56.2 mtt-85 . . . . . 0 CA--C 1.51 -0.581 0 N-CA-C 106.349 -1.722 . . . . 25.0 106.349 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 13.6 m -137.07 142.66 42.38 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.11 -1.07 . . . . 25.0 108.11 -177.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -131.74 140.37 49.24 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.168 -1.049 . . . . 25.0 108.168 178.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 83.9 mt -120.0 127.74 52.89 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.622 -0.881 . . . . 25.0 108.622 -178.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 4.2 tmtt? -124.07 147.9 47.51 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 106.451 -1.685 . . . . 25.0 106.451 -178.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 17.3 t -143.44 163.06 34.15 Favored 'General case' 0 C--O 1.241 0.623 0 N-CA-C 105.84 -1.911 . . . . 25.0 105.84 173.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . 0.406 ' HB3' ' HA ' ' A' ' 99' ' ' TYR . 88.9 t80 . . . . . 0 C--N 1.318 -0.777 0 N-CA-C 106.304 -1.739 . . . . 25.0 106.304 173.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 42.4 m . . . . . 0 C--O 1.235 0.323 0 N-CA-C 109.141 -0.689 . . . . 25.0 109.141 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -116.87 133.67 55.72 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.353 0.597 . . . . 25.0 110.98 -174.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -141.75 145.8 35.24 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.654 -0.869 . . . . 25.0 108.654 -171.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.8 mp -142.21 172.6 12.47 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 122.701 0.401 . . . . 25.0 110.836 -173.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -144.29 152.76 41.23 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 109.993 -0.373 . . . . 25.0 109.993 174.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 51.6 mt -132.07 149.01 52.52 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.091 -1.448 . . . . 25.0 107.091 177.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -143.39 158.15 43.87 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.017 -1.105 . . . . 25.0 108.017 174.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 71.48 24.84 76.37 Favored Glycine 0 C--O 1.224 -0.53 0 N-CA-C 109.813 -1.315 . . . . 25.0 109.813 -175.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -75.76 130.77 39.15 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.337 0.495 . . . . 25.0 112.337 -175.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -77.57 88.83 3.89 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.036 -0.727 . . . . 25.0 109.036 172.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -60.54 -30.88 70.03 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.519 -0.764 . . . . 25.0 109.649 177.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -60.25 -26.46 66.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.159 -0.928 . . . . 25.0 110.962 177.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' THR . . . . . 0.481 ' HG1' ' HG2' ' A' ' 80' ' ' PRO . 74.0 p -127.22 31.25 5.27 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 112.704 0.631 . . . . 25.0 112.704 178.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.5 pp -63.3 142.69 58.29 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 120.46 -0.496 . . . . 25.0 110.211 -177.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 46.8 t -156.08 148.76 23.92 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.965 0.412 . . . . 25.0 111.844 -176.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -83.04 -9.17 59.39 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 121.097 0.475 . . . . 25.0 110.462 176.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -65.02 -12.84 56.22 Favored Glycine 0 CA--C 1.519 0.334 0 N-CA-C 114.864 0.706 . . . . 25.0 114.864 -176.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 58.6 m-80 -67.28 -24.4 65.78 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.858 0.361 . . . . 25.0 111.811 179.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 64.7 mt -73.38 136.21 25.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 108.626 -0.879 . . . . 25.0 108.626 -176.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 9.9 p -56.31 -24.55 18.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 N-CA-C 114.34 1.237 . . . . 25.0 114.34 -177.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 . . . . . 0 C--N 1.328 -0.361 0 O-C-N 121.836 -0.54 . . . . 25.0 112.006 -179.643 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 . . . . . 0 N--CA 1.48 1.07 0 N-CA-C 113.488 0.922 . . . . 25.0 113.488 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -97.13 166.03 23.14 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.889 -0.672 . . . . 25.0 113.225 -178.199 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.8 t -107.53 -176.99 3.22 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 104.623 -2.362 . . . . 25.0 104.623 175.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -83.75 1.38 43.08 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 120.808 -1.182 . . . . 25.0 112.488 -179.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -84.1 -172.06 48.54 Favored Glycine 0 C--N 1.318 -0.453 0 N-CA-C 108.593 -1.803 . . . . 25.0 108.593 169.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 56.6 m-20 -82.81 135.46 34.95 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 118.649 1.225 . . . . 25.0 108.703 178.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -128.57 155.77 44.4 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 120.988 0.423 . . . . 50.0 111.977 -178.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 88.6 t -124.99 110.19 24.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 104.995 -2.224 . . . . 25.0 104.995 169.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.5 mt -118.91 130.68 55.86 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.057 -1.09 . . . . 25.0 108.057 -175.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 87.3 mt -134.12 128.8 53.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 107.626 -1.25 . . . . 25.0 107.626 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -89.84 -172.44 45.12 Favored Glycine 0 C--N 1.329 0.161 0 CA-C-O 121.961 0.756 . . . . 25.0 114.589 -177.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.2 t -118.08 -169.91 1.78 Allowed 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.731 0.813 . . . . 25.0 110.339 -179.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -70.11 -29.04 65.89 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 114.087 1.144 . . . . 25.0 114.087 -176.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.7 m -70.38 162.73 3.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.567 -0.288 . . . . 25.0 110.494 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.26 137.79 25.56 Favored Glycine 0 C--O 1.229 -0.215 0 N-CA-C 109.917 -1.273 . . . . 25.0 109.917 177.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -141.45 162.4 35.57 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 121.371 0.605 . . . . 50.0 112.532 -172.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -125.04 118.74 26.86 Favored 'General case' 0 C--N 1.323 -0.543 0 N-CA-C 106.057 -1.831 . . . . 25.0 106.057 175.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 59.7 mt -128.26 126.32 65.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 110.138 -0.319 . . . . 25.0 110.138 -171.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 70.3 p -122.63 132.13 54.14 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 122.278 -0.264 . . . . 25.0 110.402 178.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -92.74 -24.58 22.9 Favored Glycine 0 CA--C 1.518 0.235 0 N-CA-C 115.738 1.055 . . . . 25.0 115.738 -176.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.82 -159.26 53.54 Favored Glycine 0 C--O 1.245 0.824 0 CA-C-N 118.164 0.982 . . . . 25.0 112.152 -178.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.79 179.88 3.44 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 121.645 -0.915 . . . . 25.0 109.605 178.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.0 168.87 40.58 Favored Glycine 0 C--O 1.244 0.739 0 C-N-CA 121.39 -0.433 . . . . 25.0 112.03 -178.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -90.77 112.18 23.86 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 108.266 -1.012 . . . . 25.0 108.266 -178.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -121.08 165.37 15.41 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 114.292 1.219 . . . . 50.0 114.292 -171.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -117.32 135.08 54.1 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 104.803 -2.295 . . . . 25.0 104.803 164.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.5 mp -123.48 143.64 50.04 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 103.038 -2.949 . . . . 25.0 103.038 173.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -145.07 135.12 23.84 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 106.364 -1.717 . . . . 25.0 106.364 177.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -104.44 -24.17 7.61 Favored Glycine 0 N--CA 1.446 -0.657 0 O-C-N 123.363 0.414 . . . . 25.0 113.411 -175.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 63.04 -150.28 49.01 Favored Glycine 0 CA--C 1.526 0.765 0 C-N-CA 120.396 -0.907 . . . . 25.0 112.206 -175.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.33 170.62 12.75 Favored 'General case' 0 C--O 1.243 0.739 0 O-C-N 121.771 -0.84 . . . . 25.0 111.086 179.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 81.55 166.91 37.74 Favored Glycine 0 CA--C 1.515 0.089 0 N-CA-C 111.248 -0.741 . . . . 25.0 111.248 -178.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -84.1 130.16 34.87 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 106.206 -1.776 . . . . 25.0 106.206 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -132.89 152.95 51.79 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 112.783 0.66 . . . . 50.0 112.783 -173.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.5 mp -114.99 119.89 38.02 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.139 -1.06 . . . . 25.0 108.139 176.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.6 mp -121.61 131.57 54.19 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 111.646 0.239 . . . . 25.0 111.646 -176.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -121.79 110.62 16.13 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.13 0.572 . . . . 25.0 109.462 177.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -70.22 -36.98 71.5 Favored Glycine 0 C--O 1.244 0.729 0 C-N-CA 120.644 -0.789 . . . . 25.0 114.506 -175.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.97 -177.8 44.47 Favored Glycine 0 CA--C 1.523 0.586 0 CA-C-N 117.009 0.404 . . . . 25.0 112.58 -177.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.19 157.2 10.91 Favored 'General case' 0 CA--C 1.546 0.814 0 O-C-N 121.722 -0.869 . . . . 25.0 110.642 178.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.11 172.42 44.76 Favored Glycine 0 C--O 1.241 0.556 0 N-CA-C 109.989 -1.244 . . . . 25.0 109.989 -176.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.6 ptp85 -91.65 135.57 33.78 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 106.944 -1.502 . . . . 25.0 106.944 179.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -135.68 167.2 21.57 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.0 0.429 . . . . 50.0 112.145 -172.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -125.26 108.99 12.28 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 105.707 -1.96 . . . . 25.0 105.707 178.73 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.5 mp -106.29 95.75 5.99 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 109.377 -0.601 . . . . 25.0 109.377 -173.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 18.1 m -88.07 114.45 24.7 Favored 'General case' 0 C--N 1.32 -0.681 0 O-C-N 121.95 -0.469 . . . . 25.0 110.182 -177.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -86.58 -41.71 6.76 Favored Glycine 0 CA--C 1.509 -0.313 0 C-N-CA 120.1 -1.047 . . . . 25.0 112.552 -178.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.07 -161.06 54.14 Favored Glycine 0 C--O 1.239 0.432 0 N-CA-C 111.127 -0.789 . . . . 25.0 111.127 -179.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.6 mt -62.67 155.97 24.84 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.327 0.584 . . . . 25.0 111.169 178.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.19 166.35 32.68 Favored Glycine 0 C--O 1.245 0.834 0 CA-C-N 115.087 -0.96 . . . . 25.0 112.197 -179.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -86.54 106.81 17.79 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 106.537 -1.653 . . . . 25.0 106.537 178.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -109.34 153.55 23.76 Favored 'General case' 0 C--N 1.313 -1.008 0 N-CA-C 109.478 -0.564 . . . . 50.0 109.478 -173.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.0 t -124.64 142.31 51.46 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.818 0.818 . . . . 25.0 109.244 172.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -118.78 120.9 38.75 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.799 -1.091 . . . . 25.0 108.257 -176.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -113.05 134.93 54.3 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.127 0.489 . . . . 25.0 111.468 -171.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.405 ' CD1' ' HA ' ' A' ' 87' ' ' VAL . 0.2 OUTLIER -89.06 151.64 22.13 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.63 -0.878 . . . . 25.0 108.63 176.911 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -103.69 -48.21 4.01 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 112.946 0.721 . . . . 25.0 112.946 179.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.4 mp -132.57 165.95 23.21 Favored 'General case' 0 C--O 1.21 -1.023 0 N-CA-C 107.773 -1.195 . . . . 25.0 107.773 -176.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 38.1 ptt180 -63.64 -23.0 67.2 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 121.05 -1.031 . . . . 25.0 111.178 175.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -86.48 9.26 18.8 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.892 -0.594 . . . . 25.0 112.239 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -65.93 -30.85 71.5 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.392 -0.367 . . . . 25.0 110.355 177.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 58.9 p -148.05 123.28 10.22 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 109.664 -0.495 . . . . 25.0 109.664 178.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -155.52 153.21 29.87 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 108.524 -0.917 . . . . 25.0 108.524 -175.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 25.2 mtm180 -132.67 150.19 52.19 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 119.355 0.979 . . . . 25.0 108.617 175.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 85.1 p -152.9 168.0 12.28 Favored Pre-proline 0 C--N 1.321 -0.635 0 N-CA-C 108.706 -0.85 . . . . 25.0 108.706 -172.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -70.61 -11.53 29.88 Favored 'Trans proline' 0 C--N 1.352 0.75 0 C-N-CA 116.764 -1.691 . . . . 25.0 112.988 175.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 69.2 mt -81.11 -6.2 58.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.847 0.356 . . . . 25.0 110.392 177.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 136.73 170.6 11.98 Favored Glycine 0 C--O 1.24 0.507 0 N-CA-C 111.639 -0.584 . . . . 25.0 111.639 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.3 t -91.55 140.42 29.76 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.184 -0.673 . . . . 25.0 109.184 177.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -130.92 20.84 4.96 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 106.367 -1.716 . . . . 25.0 106.367 177.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 86.3 p -82.11 151.62 26.91 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 108.641 -0.874 . . . . 25.0 108.641 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -83.53 160.66 21.43 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.225 -0.657 . . . . 50.0 109.225 177.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.3 mp -119.81 128.67 53.92 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 104.438 -2.43 . . . . 25.0 104.438 170.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 52.5 mt -96.98 139.5 19.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 101.903 -3.369 . . . . 25.0 101.903 172.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -115.19 143.61 44.97 Favored 'General case' 0 C--N 1.311 -1.066 0 N-CA-C 108.709 -0.849 . . . . 25.0 108.709 -173.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 57.43 45.6 19.51 Favored 'General case' 0 C--O 1.243 0.752 0 O-C-N 124.59 1.181 . . . . 25.0 108.995 178.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -80.39 124.9 29.28 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.898 -1.047 . . . . 25.0 110.228 -178.128 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -101.01 98.07 8.02 Favored Pre-proline 0 C--N 1.317 -0.812 0 CA-C-N 114.961 -1.018 . . . . 25.0 108.817 178.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -64.58 -12.43 33.56 Favored 'Trans proline' 0 CA--C 1.536 0.612 0 N-CA-C 114.429 0.896 . . . . 25.0 114.429 179.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 48.3 t -85.22 -11.45 54.89 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 112.673 0.619 . . . . 25.0 112.673 176.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 90.6 mm-40 -134.94 -36.99 0.81 Allowed 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 114.451 1.278 . . . . 25.0 114.451 -172.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -87.77 161.83 17.36 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 113.315 0.858 . . . . 50.0 113.315 -169.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.5 tptt -131.39 154.42 48.65 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.227 -0.442 . . . . 25.0 111.901 -177.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 68.1 mt -127.62 115.52 40.08 Favored 'Isoleucine or valine' 0 C--O 1.241 0.618 0 CA-C-O 121.084 0.469 . . . . 25.0 110.268 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -95.48 108.37 20.59 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 123.316 0.646 . . . . 25.0 110.439 177.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.405 ' HA ' ' CD1' ' A' ' 57' ' ' PHE . 5.7 m -135.9 159.69 39.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 108.189 -1.041 . . . . 25.0 108.189 178.599 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 41.3 t -156.91 -62.59 0.1 Allowed 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 114.336 1.236 . . . . 25.0 114.336 178.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.88 14.23 0.3 Allowed 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 116.08 1.882 . . . . 25.0 116.08 -170.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 18.7 mt -83.55 -31.85 26.17 Favored 'General case' 0 C--O 1.216 -0.659 0 N-CA-C 106.466 -1.679 . . . . 25.0 106.466 176.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.447 0 N-CA-C 117.952 1.941 . . . . 25.0 117.952 171.316 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 . . . . . 0 N--CA 1.469 0.503 0 CA-C-O 120.678 0.275 . . . . 25.0 110.427 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 83.48 -0.84 89.45 Favored Glycine 0 N--CA 1.46 0.26 0 N-CA-C 115.941 1.136 . . . . 25.0 115.941 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.401 ' HA ' ' HB3' ' A' ' 119' ' ' TYR . 93.7 m-85 -142.67 156.01 44.99 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.632 -0.877 . . . . 25.0 108.632 -178.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 58.3 51.06 8.77 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 113.841 1.052 . . . . 25.0 113.841 177.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 77.68 16.54 80.01 Favored Glycine 0 CA--C 1.508 -0.394 0 C-N-CA 120.841 -0.695 . . . . 25.0 113.41 173.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 13.3 p -122.45 138.23 54.61 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 106.581 -1.636 . . . . 25.0 106.581 -178.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 36.3 mt -91.17 147.25 23.19 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 116.412 2.005 . . . . 25.0 116.412 -171.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -139.12 156.89 46.82 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 106.627 -1.62 . . . . 25.0 106.627 169.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 59.7 t -127.04 135.4 63.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 107.905 -1.146 . . . . 25.0 107.905 -177.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 84.5 p -130.28 157.11 43.41 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 107.123 -1.436 . . . . 25.0 107.123 176.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.6 mp . . . . . 0 C--N 1.323 -0.556 0 N-CA-C 110.041 -0.355 . . . . 25.0 110.041 -175.195 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 . . . . . 0 CA--C 1.501 -0.926 0 N-CA-C 107.227 -1.397 . . . . 25.0 107.227 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 29.4 m -136.2 146.71 47.11 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 107.894 -1.15 . . . . 25.0 107.894 -175.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -133.37 145.72 50.61 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.186 -1.042 . . . . 25.0 108.186 178.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 5.0 mp -123.11 128.63 50.36 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 107.137 -1.431 . . . . 25.0 107.137 -178.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -128.38 134.11 48.76 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.436 -0.347 . . . . 25.0 110.812 -175.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 20.8 t -120.14 -28.46 5.09 Favored 'General case' 0 N--CA 1.468 0.474 0 O-C-N 123.871 0.732 . . . . 25.0 111.747 176.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . 0.401 ' HB3' ' HA ' ' A' ' 99' ' ' TYR . 6.5 t80 . . . . . 0 N--CA 1.47 0.553 0 CA-C-O 122.164 0.983 . . . . 25.0 112.601 -177.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 68.8 p . . . . . 0 C--O 1.244 0.773 0 N-CA-C 116.563 2.06 . . . . 25.0 116.563 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -99.98 125.06 45.95 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 107.822 -1.177 . . . . 25.0 107.822 175.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -143.29 151.06 40.08 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 105.922 -1.881 . . . . 25.0 105.922 -177.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.2 mp -131.23 167.57 18.96 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 120.706 0.289 . . . . 25.0 111.293 -171.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -139.88 155.08 47.39 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.402 -0.592 . . . . 25.0 109.402 178.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.518 ' HB3' HD22 ' A' ' 135' ' ' ASN . 67.5 mt -136.61 155.58 49.72 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 106.197 -1.779 . . . . 25.0 106.197 176.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -145.3 153.38 41.21 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 107.584 -1.265 . . . . 25.0 107.584 -177.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 67.5 42.59 88.61 Favored Glycine 0 C--O 1.226 -0.355 0 N-CA-C 109.995 -1.242 . . . . 25.0 109.995 -177.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . 0.518 HD22 ' HB3' ' A' ' 132' ' ' LEU . 31.2 m120 -90.89 145.0 25.11 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 114.505 1.298 . . . . 25.0 114.505 -173.453 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 68.1 m80 -103.32 77.46 1.52 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.318 -1.31 . . . . 25.0 108.997 175.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -63.88 -25.49 68.18 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.662 -0.699 . . . . 25.0 109.871 178.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -62.14 -25.2 67.61 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 116.131 -0.486 . . . . 25.0 111.207 176.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 80.6 p -119.83 32.04 6.25 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 116.84 -0.164 . . . . 25.0 111.213 178.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.6 pp -56.81 154.93 8.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.785 0.802 . . . . 25.0 113.061 -175.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 42.1 t -149.63 151.99 34.68 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 107.375 -1.342 . . . . 25.0 107.375 179.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -92.04 -15.89 27.22 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.453 0.644 . . . . 25.0 109.988 177.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -85.3 26.13 5.83 Favored Glycine 0 C--O 1.225 -0.468 0 N-CA-C 115.481 0.953 . . . . 25.0 115.481 -174.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -66.06 -33.83 76.68 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.493 0.663 . . . . 25.0 111.297 -178.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -74.57 146.49 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.707 0.765 . . . . 25.0 112.432 -177.033 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 9.1 p -61.51 -19.58 21.08 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 CA-C-N 115.488 -0.778 . . . . 25.0 111.887 179.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 . . . . . 0 C--N 1.329 -0.298 0 O-C-N 122.296 -0.252 . . . . 25.0 111.556 179.261 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 . . . . . 0 N--CA 1.478 0.951 0 N-CA-C 114.226 1.195 . . . . 25.0 114.226 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -89.44 172.76 39.81 Favored Glycine 0 N--CA 1.451 -0.307 0 N-CA-C 110.88 -0.888 . . . . 25.0 110.88 176.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 68.7 p -80.42 -176.02 5.46 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.438 -0.949 . . . . 25.0 108.438 176.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -89.62 9.04 28.37 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 121.324 -0.86 . . . . 25.0 111.124 174.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -90.02 -154.62 29.97 Favored Glycine 0 CA--C 1.518 0.234 0 N-CA-C 109.122 -1.591 . . . . 25.0 109.122 173.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -94.83 125.03 39.21 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 107.773 -1.195 . . . . 25.0 107.773 176.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -130.88 155.16 47.22 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 121.142 0.496 . . . . 50.0 111.8 -175.006 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 84.0 t -124.86 115.3 43.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 106.142 -1.799 . . . . 25.0 106.142 173.052 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.8 mp -120.59 128.32 52.94 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.581 -0.896 . . . . 25.0 108.581 -179.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 37.8 mm -119.59 123.04 70.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 107.86 -1.163 . . . . 25.0 107.86 -178.204 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -83.38 154.47 31.47 Favored Glycine 0 N--CA 1.449 -0.482 0 CA-C-O 121.791 0.661 . . . . 25.0 113.537 -178.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 87.8 p -86.66 -178.72 6.44 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.083 -0.71 . . . . 25.0 109.083 177.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -76.4 -10.52 59.46 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 115.417 1.636 . . . . 25.0 115.417 -176.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.4 m -85.6 167.51 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 N-CA-C 108.779 -0.823 . . . . 25.0 108.779 176.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.97 136.42 24.1 Favored Glycine 0 CA--C 1.515 0.093 0 C-N-CA 120.461 -0.876 . . . . 25.0 111.574 179.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -142.94 163.42 32.84 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 117.405 0.603 . . . . 50.0 112.365 -174.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -118.33 118.27 31.34 Favored 'General case' 0 C--O 1.237 0.429 0 N-CA-C 105.642 -1.984 . . . . 25.0 105.642 171.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 54.7 mt -126.95 123.45 62.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 109.11 -0.7 . . . . 25.0 109.11 -174.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.3 p -116.59 140.88 48.89 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.835 -0.431 . . . . 25.0 109.835 179.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -95.75 -25.68 12.95 Favored Glycine 0 C--N 1.325 -0.077 0 C-N-CA 121.369 -0.443 . . . . 25.0 114.027 -178.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 73.06 -162.02 54.61 Favored Glycine 0 C--O 1.244 0.736 0 N-CA-C 111.395 -0.682 . . . . 25.0 111.395 -177.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.5 175.76 4.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 122.006 -0.703 . . . . 25.0 109.341 177.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.95 172.89 49.13 Favored Glycine 0 C--O 1.246 0.856 0 C-N-CA 121.274 -0.489 . . . . 25.0 113.3 179.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -86.72 112.19 21.42 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.879 -0.786 . . . . 25.0 108.879 -178.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -120.87 165.9 14.54 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 114.101 1.149 . . . . 50.0 114.101 -174.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -123.25 127.0 47.98 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 105.043 -2.206 . . . . 25.0 105.043 167.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -121.35 121.58 37.95 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 106.261 -1.755 . . . . 25.0 106.261 178.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -117.09 138.6 51.51 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 105.146 -2.168 . . . . 25.0 105.146 173.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -93.38 -28.34 11.72 Favored Glycine 0 C--N 1.319 -0.364 0 C-N-CA 121.289 -0.481 . . . . 25.0 112.564 -179.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 72.75 -163.37 54.84 Favored Glycine 0 C--O 1.245 0.814 0 N-CA-C 109.184 -1.566 . . . . 25.0 109.184 -174.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.1 175.82 7.12 Favored 'General case' 0 C--O 1.244 0.813 0 CA-C-N 118.002 0.901 . . . . 25.0 109.53 177.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.78 167.04 36.51 Favored Glycine 0 C--O 1.242 0.607 0 N-CA-C 110.165 -1.174 . . . . 25.0 110.165 -176.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -84.54 134.65 34.41 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 107.026 -1.472 . . . . 25.0 107.026 -179.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -136.7 152.98 50.98 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 114.214 1.19 . . . . 50.0 114.214 -171.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.9 mp -108.89 123.83 49.7 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 105.739 -1.949 . . . . 25.0 105.739 174.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.0 mp -124.31 107.27 10.98 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.064 0.459 . . . . 25.0 110.664 -177.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -99.84 104.81 16.5 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 108.656 -0.868 . . . . 25.0 108.656 -178.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -63.86 -41.84 98.64 Favored Glycine 0 C--O 1.247 0.938 0 C-N-CA 120.751 -0.738 . . . . 25.0 114.567 -174.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.49 175.94 44.09 Favored Glycine 0 C--O 1.238 0.358 0 N-CA-C 111.644 -0.582 . . . . 25.0 111.644 -178.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.29 154.99 7.34 Favored 'General case' 0 C--O 1.243 0.749 0 O-C-N 122.194 -0.592 . . . . 25.0 111.703 -179.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 87.39 168.57 44.82 Favored Glycine 0 C--O 1.24 0.512 0 N-CA-C 110.533 -1.027 . . . . 25.0 110.533 -176.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.2 ptp85 -82.92 145.18 29.55 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 107.301 -1.37 . . . . 25.0 107.301 179.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -140.7 169.26 17.98 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 120.579 0.228 . . . . 50.0 110.466 -174.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.6 120.69 28.71 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 104.874 -2.269 . . . . 25.0 104.874 177.376 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.6 mp -121.75 98.51 5.99 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.844 0.683 . . . . 25.0 112.844 -171.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -88.04 104.89 17.09 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 122.609 0.364 . . . . 25.0 110.692 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -72.13 -42.44 51.06 Favored Glycine 0 C--O 1.249 1.086 0 C-N-CA 119.817 -1.182 . . . . 25.0 113.265 -177.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.86 -163.01 53.88 Favored Glycine 0 C--O 1.241 0.556 0 N-CA-C 111.526 -0.63 . . . . 25.0 111.526 -178.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 86.5 mt -62.36 155.06 26.2 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-O 121.168 0.508 . . . . 25.0 111.299 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 90.37 168.09 42.31 Favored Glycine 0 C--O 1.246 0.878 0 CA-C-N 115.136 -0.938 . . . . 25.0 110.818 -178.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -84.77 128.03 34.41 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 106.322 -1.733 . . . . 25.0 106.322 177.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -122.84 147.65 46.31 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 109.389 -0.597 . . . . 50.0 109.389 -174.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.6 t -119.76 124.01 45.14 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 107.959 -1.126 . . . . 25.0 107.959 174.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -102.29 129.94 48.85 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 106.541 -1.652 . . . . 25.0 106.541 -177.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -124.66 145.22 49.77 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 116.674 2.101 . . . . 25.0 116.674 -168.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 43.1 p90 -81.52 160.2 23.97 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.052 -1.431 . . . . 25.0 108.29 169.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -125.81 -21.77 4.33 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 109.237 -0.653 . . . . 25.0 109.237 167.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.0 mp -135.97 172.06 13.56 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 107.264 -1.384 . . . . 25.0 107.264 179.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 41.6 ptt180 -78.21 -26.47 47.48 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 108.768 -0.827 . . . . 25.0 108.768 168.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -81.56 7.49 11.97 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 121.409 0.623 . . . . 25.0 111.085 178.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -66.07 -28.65 68.99 Favored 'General case' 0 C--O 1.242 0.695 0 CA-C-N 116.296 -0.411 . . . . 25.0 111.455 -179.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 39.4 p -144.65 102.17 3.77 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 115.826 -0.624 . . . . 25.0 110.972 179.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 19.5 t60 -149.81 151.43 33.53 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.831 -0.803 . . . . 25.0 108.831 -177.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 31.9 mtm180 -132.82 147.67 52.31 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 119.286 0.948 . . . . 25.0 108.542 175.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.8 m -137.58 164.91 38.08 Favored Pre-proline 0 C--N 1.322 -0.598 0 N-CA-C 107.729 -1.212 . . . . 25.0 107.729 -174.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -69.14 -10.57 29.42 Favored 'Trans proline' 0 CA--C 1.536 0.602 0 C-N-CA 115.751 -2.366 . . . . 25.0 112.946 175.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.0 mp -78.45 -9.23 59.22 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 122.4 0.28 . . . . 25.0 110.955 175.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 137.69 173.66 13.03 Favored Glycine 0 N--CA 1.455 -0.087 0 N-CA-C 112.003 -0.439 . . . . 25.0 112.003 -179.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.4 t -83.62 143.98 29.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 122.19 -0.594 . . . . 25.0 109.684 178.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -134.73 23.52 3.64 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 105.07 -2.196 . . . . 25.0 105.07 174.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 18.0 t -113.01 158.88 19.73 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-N 115.063 -0.971 . . . . 25.0 110.717 -175.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -86.23 155.25 20.78 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 114.867 -1.061 . . . . 50.0 112.418 -173.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 9.0 mp -117.16 121.91 42.6 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 104.28 -2.489 . . . . 25.0 104.28 173.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 31.5 mt -91.78 143.76 10.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 N-CA-C 102.777 -3.046 . . . . 25.0 102.777 176.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 60.0 mt -123.15 145.13 48.86 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 108.13 -1.063 . . . . 25.0 108.13 -173.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 53.07 44.99 29.66 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 122.129 0.966 . . . . 25.0 109.045 179.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -76.52 130.33 37.76 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.899 -1.046 . . . . 25.0 110.208 -177.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -102.47 94.05 4.62 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 115.72 -0.673 . . . . 25.0 109.594 177.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.407 ' HG2' ' HG1' ' A' ' 139' ' ' THR . 86.8 Cg_endo -69.67 4.79 1.95 Allowed 'Trans proline' 0 CA--C 1.537 0.653 0 N-CA-C 114.181 0.8 . . . . 25.0 114.181 176.61 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 20.2 t -95.08 -13.62 24.98 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 122.506 0.322 . . . . 25.0 110.711 174.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -141.03 -34.55 0.5 Allowed 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 115.929 1.826 . . . . 25.0 115.929 -173.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -84.97 156.76 21.03 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.589 0.589 . . . . 50.0 112.589 -169.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 39.5 tptt -123.56 149.73 44.9 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.23 0.612 . . . . 25.0 109.7 -176.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 25.8 mt -126.52 116.94 46.86 Favored 'Isoleucine or valine' 0 C--O 1.243 0.729 0 CA-C-O 121.042 0.449 . . . . 25.0 109.929 176.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -82.68 121.49 26.92 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 107.36 -1.348 . . . . 25.0 107.36 176.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 18.1 m -135.53 27.64 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 CA-C-O 121.865 0.841 . . . . 25.0 110.038 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.99 -25.61 67.73 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 114.855 1.428 . . . . 25.0 114.855 -174.323 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -75.36 -13.44 60.41 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 112.246 0.461 . . . . 25.0 112.246 177.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.7 mt -98.59 -36.6 9.84 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 106.924 -1.51 . . . . 25.0 106.924 -178.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.346 0 N-CA-C 117.301 1.68 . . . . 25.0 117.301 168.436 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 10.0 m120 . . . . . 0 N--CA 1.471 0.589 0 N-CA-C 114.31 1.226 . . . . 25.0 114.31 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 76.09 16.3 80.79 Favored Glycine 0 C--O 1.225 -0.41 0 N-CA-C 118.645 2.218 . . . . 25.0 118.645 175.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -147.38 160.42 42.56 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 118.467 1.133 . . . . 25.0 109.225 178.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 51.01 50.98 18.01 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 114.028 1.122 . . . . 25.0 114.028 173.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 79.93 17.62 74.37 Favored Glycine 0 N--CA 1.453 -0.186 0 C-N-CA 120.422 -0.894 . . . . 25.0 113.92 177.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 54.5 p -121.14 143.69 48.97 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 106.882 -1.525 . . . . 25.0 106.882 175.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 89.8 mt -85.58 161.62 19.22 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.267 0.556 . . . . 25.0 112.353 -176.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -131.73 157.31 44.13 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 101.71 -3.441 . . . . 25.0 101.71 166.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 11.5 p -124.46 151.08 29.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.172 -0.677 . . . . 25.0 109.172 -176.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 64.9 p -146.72 162.7 37.97 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 106.734 -1.58 . . . . 25.0 106.734 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 88.8 mt . . . . . 0 C--N 1.324 -0.512 0 N-CA-C 109.682 -0.488 . . . . 25.0 109.682 -178.024 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 4.6 mtp180 . . . . . 0 CA--C 1.511 -0.539 0 N-CA-C 108.849 -0.797 . . . . 25.0 108.849 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 28.1 m -135.28 138.14 43.2 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.711 -0.477 . . . . 25.0 109.711 -174.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -131.47 142.62 50.02 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.802 -0.814 . . . . 25.0 108.802 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.9 mp -127.24 146.55 50.38 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.604 -0.517 . . . . 25.0 109.604 -175.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 19.8 tttp -140.94 129.12 22.17 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 112.233 0.457 . . . . 25.0 112.233 -177.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 32.7 t -93.99 -14.49 25.85 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-O 121.565 0.697 . . . . 25.0 111.991 177.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.479 0.989 0 C-N-CA 125.53 1.532 . . . . 25.0 114.864 178.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 14.8 m . . . . . 0 C--O 1.238 0.491 0 N-CA-C 114.618 1.34 . . . . 25.0 114.618 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -76.28 129.46 36.69 Favored 'General case' 0 C--O 1.242 0.696 0 N-CA-C 104.474 -2.417 . . . . 25.0 104.474 166.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -144.09 150.58 38.37 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 107.409 -1.33 . . . . 25.0 107.409 -175.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.9 mp -135.39 162.43 32.64 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 109.594 -0.521 . . . . 25.0 109.594 -177.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -138.2 144.62 40.76 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 121.119 0.485 . . . . 25.0 111.731 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 65.5 mt -130.74 133.21 45.83 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.529 -1.285 . . . . 25.0 107.529 176.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -120.99 143.53 48.98 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 106.682 -1.599 . . . . 25.0 106.682 173.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 73.47 29.28 64.12 Favored Glycine 0 C--O 1.225 -0.464 0 N-CA-C 109.995 -1.242 . . . . 25.0 109.995 -178.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -79.03 124.74 28.56 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.55 -0.537 . . . . 25.0 109.55 -178.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 77.7 m80 -76.15 84.42 2.99 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.326 0.584 . . . . 25.0 110.241 177.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -60.87 -27.46 68.14 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.116 -0.698 . . . . 25.0 109.116 175.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -60.81 -27.47 68.06 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 115.739 -0.664 . . . . 25.0 111.38 176.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' THR . . . . . 0.407 ' HG1' ' HG2' ' A' ' 80' ' ' PRO . 76.5 p -125.35 34.45 4.94 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 111.598 0.222 . . . . 25.0 111.598 178.586 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.0 pp -62.48 150.03 41.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.645 0.736 . . . . 25.0 112.844 -175.256 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 29.3 t -155.5 147.14 23.06 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.396 -1.335 . . . . 25.0 107.396 175.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -99.34 -7.96 25.54 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.241 0.543 . . . . 25.0 110.722 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -74.18 -6.35 74.27 Favored Glycine 0 N--CA 1.46 0.26 0 C-N-CA 121.182 -0.533 . . . . 25.0 113.171 -178.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -76.46 -13.74 60.09 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.55 0.69 . . . . 25.0 111.881 -179.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 62.9 mt -80.97 144.28 10.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 N-CA-C 104.695 -2.335 . . . . 25.0 104.695 179.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 6.0 p -51.16 -27.3 5.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 N-CA-C 115.311 1.597 . . . . 25.0 115.311 -173.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 . . . . . 0 C--N 1.327 -0.387 0 N-CA-C 113.21 0.818 . . . . 25.0 113.21 -178.309 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.895 0 CA-C-O 120.714 0.292 . . . . 25.0 110.929 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -97.62 -166.14 32.06 Favored Glycine 0 C--O 1.227 -0.287 0 CA-C-O 121.749 0.638 . . . . 25.0 114.276 -175.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.8 t -125.01 -173.91 2.92 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 104.889 -2.263 . . . . 25.0 104.889 176.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -84.85 4.07 34.95 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 120.895 -1.128 . . . . 25.0 113.367 -176.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -85.24 -169.97 46.6 Favored Glycine 0 C--N 1.321 -0.284 0 N-CA-C 109.138 -1.585 . . . . 25.0 109.138 171.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 64.0 m-20 -86.42 130.42 34.51 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 118.69 1.245 . . . . 25.0 108.078 177.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -127.53 156.45 42.19 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 112.838 0.681 . . . . 50.0 112.838 -175.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 97.7 t -124.82 116.72 48.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 104.214 -2.513 . . . . 25.0 104.214 168.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 45.9 mt -122.13 134.9 54.74 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.673 -0.862 . . . . 25.0 108.673 -173.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 73.9 mt -130.74 124.96 57.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 107.611 -1.255 . . . . 25.0 107.611 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -85.75 157.03 30.75 Favored Glycine 0 N--CA 1.45 -0.433 0 CA-C-O 121.599 0.555 . . . . 25.0 113.395 -178.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 89.0 p -83.85 -178.87 7.13 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 123.391 0.677 . . . . 25.0 109.79 177.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -73.26 -14.79 61.39 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 115.367 1.618 . . . . 25.0 115.367 -176.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.0 m -84.31 168.03 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 109.182 -0.673 . . . . 25.0 109.182 178.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.49 137.49 26.12 Favored Glycine 0 N--CA 1.453 -0.203 0 N-CA-C 110.813 -0.915 . . . . 25.0 110.813 177.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -143.35 167.24 22.63 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.059 0.457 . . . . 50.0 111.11 -174.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.0 tm0? -121.73 126.17 48.29 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 103.302 -2.851 . . . . 25.0 103.302 170.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 61.7 mt -128.63 121.31 54.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 108.223 -1.029 . . . . 25.0 108.223 -175.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 94.2 p -110.63 138.58 46.83 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.701 -0.852 . . . . 25.0 108.701 177.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -91.03 -25.68 23.85 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.867 -0.682 . . . . 25.0 111.849 178.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 71.65 -159.48 53.82 Favored Glycine 0 C--O 1.247 0.914 0 N-CA-C 110.768 -0.933 . . . . 25.0 110.768 -176.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.5 -179.87 3.71 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.731 -0.84 . . . . 25.0 108.731 176.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.2 169.03 41.2 Favored Glycine 0 C--O 1.242 0.634 0 C-N-CA 121.051 -0.595 . . . . 25.0 111.908 -178.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -92.88 112.94 25.08 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.129 -1.063 . . . . 25.0 108.129 -178.149 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -122.69 167.93 12.84 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 114.485 1.291 . . . . 50.0 114.485 -170.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 66.0 ttt180 -125.67 129.5 49.7 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 105.695 -1.965 . . . . 25.0 105.695 166.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.5 mp -122.08 126.16 47.8 Favored 'General case' 0 C--N 1.319 -0.717 0 N-CA-C 105.881 -1.896 . . . . 25.0 105.881 178.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -119.38 135.64 54.64 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 104.439 -2.43 . . . . 25.0 104.439 173.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -93.34 -25.21 19.6 Favored Glycine 0 C--N 1.32 -0.351 0 C-N-CA 121.466 -0.397 . . . . 25.0 113.386 -176.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 71.23 -160.04 53.98 Favored Glycine 0 C--O 1.246 0.896 0 N-CA-C 110.499 -1.041 . . . . 25.0 110.499 -176.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.21 172.81 10.43 Favored 'General case' 0 C--O 1.243 0.762 0 N-CA-C 109.567 -0.531 . . . . 25.0 109.567 178.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 83.09 165.42 37.7 Favored Glycine 0 C--O 1.241 0.542 0 N-CA-C 110.716 -0.954 . . . . 25.0 110.716 -177.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -84.84 126.62 33.61 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 106.851 -1.537 . . . . 25.0 106.851 -179.224 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -130.94 152.65 50.03 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 113.587 0.958 . . . . 50.0 113.587 -170.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.1 mp -108.25 130.78 55.15 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 106.367 -1.716 . . . . 25.0 106.367 172.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.5 mp -127.44 113.4 16.14 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.203 -0.295 . . . . 25.0 110.203 -176.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -106.45 108.7 20.34 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 122.701 0.4 . . . . 25.0 109.938 -178.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -67.91 -44.8 77.58 Favored Glycine 0 C--O 1.249 1.05 0 C-N-CA 120.684 -0.769 . . . . 25.0 114.827 -174.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.49 -173.51 54.97 Favored Glycine 0 C--O 1.245 0.79 0 O-C-N 122.395 -0.473 . . . . 25.0 112.154 -178.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.05 161.6 12.94 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 122.452 -0.44 . . . . 25.0 109.972 177.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 86.84 174.97 49.32 Favored Glycine 0 N--CA 1.461 0.309 0 N-CA-C 109.523 -1.431 . . . . 25.0 109.523 -176.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.3 ptp180 -100.01 132.37 45.4 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 107.9 -1.148 . . . . 25.0 107.9 179.033 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -132.64 165.98 23.19 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 116.061 -0.518 . . . . 50.0 111.686 -168.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.09 123.97 39.53 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 105.268 -2.123 . . . . 25.0 105.268 177.757 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.1 mp -119.95 94.59 4.44 Favored 'General case' 0 C--N 1.322 -0.595 0 O-C-N 123.271 0.357 . . . . 25.0 110.249 -173.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.4 m -88.11 110.65 20.82 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.388 -0.597 . . . . 25.0 109.388 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -77.5 -41.28 20.83 Favored Glycine 0 C--O 1.248 1.018 0 C-N-CA 119.578 -1.296 . . . . 25.0 113.313 -176.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.91 -161.39 54.03 Favored Glycine 0 C--O 1.24 0.518 0 N-CA-C 111.342 -0.703 . . . . 25.0 111.342 -177.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.5 mt -62.96 155.08 28.44 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 121.105 0.478 . . . . 25.0 111.256 179.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 92.18 167.96 40.14 Favored Glycine 0 C--O 1.246 0.851 0 CA-C-N 115.195 -0.911 . . . . 25.0 111.034 -178.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -84.57 123.55 30.43 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 106.455 -1.683 . . . . 25.0 106.455 178.137 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -118.77 139.26 51.87 Favored 'General case' 0 C--N 1.319 -0.752 0 O-C-N 122.096 -0.377 . . . . 50.0 110.932 -174.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 29.3 m -108.27 103.93 13.21 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.857 -0.794 . . . . 25.0 108.857 178.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -86.81 124.25 32.84 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 104.833 -2.284 . . . . 25.0 104.833 178.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 52.3 ttt-85 -132.12 150.89 52.04 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.685 0.755 . . . . 25.0 112.809 -168.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 53.6 p90 -77.01 158.91 30.3 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.858 -1.064 . . . . 25.0 108.897 172.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -124.04 -41.54 2.21 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 107.505 -1.294 . . . . 25.0 107.505 169.084 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -126.21 170.42 11.86 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 106.702 -1.592 . . . . 25.0 106.702 176.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 39.3 ptt180 -69.87 -14.84 62.93 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-O 122.023 0.916 . . . . 25.0 109.776 171.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -81.3 3.07 25.39 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.419 -0.81 . . . . 25.0 111.214 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.81 -33.04 74.79 Favored 'General case' 0 CA--C 1.514 -0.423 0 C-N-CA 120.56 -0.456 . . . . 25.0 111.368 -179.043 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.433 ' HA ' ' HA ' ' A' ' 72' ' ' SER . 18.5 m -151.0 93.08 1.89 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.412 0.625 . . . . 25.0 111.615 175.378 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -143.94 151.75 40.18 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 107.759 -1.2 . . . . 25.0 107.759 -176.003 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 76.1 mtt180 -126.82 147.2 50.04 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 118.706 0.684 . . . . 25.0 111.443 179.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 27.2 t -151.82 154.66 33.19 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 106.394 -1.706 . . . . 25.0 106.394 -175.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_endo -68.8 -14.62 39.39 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 116.201 -2.066 . . . . 25.0 112.561 175.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 81.2 mt -79.07 -7.3 58.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.041 0.448 . . . . 25.0 110.805 177.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 147.0 152.64 5.69 Favored Glycine 0 N--CA 1.449 -0.472 0 N-CA-C 111.353 -0.699 . . . . 25.0 111.353 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.4 t -100.38 143.22 30.83 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.657 -0.868 . . . . 25.0 108.657 179.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -124.27 10.4 8.66 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.659 -0.867 . . . . 25.0 108.659 179.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.433 ' HA ' ' HA ' ' A' ' 63' ' ' SER . 83.1 p -67.25 137.22 55.98 Favored 'General case' 0 CA--C 1.508 -0.653 0 N-CA-C 108.894 -0.78 . . . . 25.0 108.894 179.637 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -96.4 157.32 15.95 Favored 'General case' 0 C--N 1.318 -0.772 0 O-C-N 123.487 0.492 . . . . 50.0 110.715 -177.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.3 mp -115.09 124.9 52.75 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 105.427 -2.064 . . . . 25.0 105.427 174.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 67.0 mt -92.28 144.69 8.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 N-CA-C 102.479 -3.156 . . . . 25.0 102.479 173.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -123.52 141.21 52.23 Favored 'General case' 0 C--N 1.314 -0.963 0 O-C-N 124.023 0.827 . . . . 25.0 109.005 -173.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 54.92 50.36 15.74 Favored 'General case' 0 C--O 1.241 0.608 0 O-C-N 124.453 1.096 . . . . 25.0 109.323 177.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -77.89 129.42 35.35 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.473 -1.239 . . . . 25.0 111.553 -176.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -103.48 94.19 5.7 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.747 -0.661 . . . . 25.0 109.414 177.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -64.21 -15.69 50.85 Favored 'Trans proline' 0 CA--C 1.532 0.376 0 N-CA-C 114.518 0.93 . . . . 25.0 114.518 -179.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.6 t -81.07 -11.11 59.58 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 112.926 0.713 . . . . 25.0 112.926 177.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 -137.44 -37.55 0.62 Allowed 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 114.247 1.203 . . . . 25.0 114.247 -172.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -84.65 162.42 19.73 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.13 0.49 . . . . 50.0 112.278 -171.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 48.1 tptt -129.92 144.02 51.1 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 123.11 0.564 . . . . 25.0 109.818 -178.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 43.7 mt -123.57 112.97 35.38 Favored 'Isoleucine or valine' 0 C--O 1.242 0.666 0 N-CA-C 109.74 -0.467 . . . . 25.0 109.74 177.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -94.1 123.9 37.77 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 110.019 -0.363 . . . . 25.0 110.019 177.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 28.5 m -127.23 22.08 2.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 CA-C-O 121.331 0.586 . . . . 25.0 112.303 -177.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.7 t -59.49 -28.39 66.98 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 115.151 1.537 . . . . 25.0 115.151 -174.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -76.61 -13.59 60.05 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 112.678 0.621 . . . . 25.0 112.678 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 23.4 mt -87.67 -51.45 5.87 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 105.206 -2.146 . . . . 25.0 105.206 178.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.86 0 CA-C-N 114.252 -1.34 . . . . 25.0 114.056 174.91 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 . . . . . 0 N--CA 1.471 0.604 0 N-CA-C 110.062 -0.347 . . . . 25.0 110.062 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 81.81 -1.62 85.76 Favored Glycine 0 N--CA 1.461 0.306 0 N-CA-C 116.688 1.435 . . . . 25.0 116.688 179.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -140.37 154.87 46.88 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.955 0.378 . . . . 25.0 110.242 -178.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 56.23 50.34 13.61 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 114.203 1.186 . . . . 25.0 114.203 174.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 81.6 21.82 61.22 Favored Glycine 0 CA--C 1.508 -0.385 0 C-N-CA 120.709 -0.757 . . . . 25.0 112.425 173.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 14.6 p -130.96 140.1 50.12 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 105.899 -1.889 . . . . 25.0 105.899 179.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 49.8 mt -89.12 157.59 18.25 Favored 'General case' 0 C--O 1.216 -0.677 0 N-CA-C 115.968 1.84 . . . . 25.0 115.968 -170.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -136.74 154.99 50.43 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 104.641 -2.355 . . . . 25.0 104.641 168.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 9.2 p -128.56 153.21 37.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 108.595 -0.891 . . . . 25.0 108.595 -177.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 40.7 p -148.71 161.91 40.8 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 106.098 -1.816 . . . . 25.0 106.098 177.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 84.2 mt . . . . . 0 C--N 1.326 -0.447 0 N-CA-C 109.703 -0.481 . . . . 25.0 109.703 -176.506 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 87.9 mtt180 . . . . . 0 CA--C 1.514 -0.441 0 N-CA-C 108.417 -0.957 . . . . 25.0 108.417 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 28.0 m -134.18 141.84 47.21 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 108.423 -0.954 . . . . 25.0 108.423 -175.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -130.55 142.89 50.47 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.709 -0.849 . . . . 25.0 108.709 178.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 37.0 mt -126.57 142.45 51.53 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 109.868 -0.419 . . . . 25.0 109.868 -177.293 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 39.1 tttt -142.65 136.17 28.82 Favored 'General case' 0 C--O 1.218 -0.592 0 O-C-N 123.216 0.322 . . . . 25.0 111.119 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 30.5 t -115.11 -27.99 7.12 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 113.81 1.041 . . . . 25.0 113.81 179.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 6.4 t80 . . . . . 0 N--CA 1.48 1.034 0 CA-C-O 122.792 1.282 . . . . 25.0 111.777 -179.198 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 53.0 p . . . . . 0 C--O 1.241 0.655 0 N-CA-C 116.813 2.153 . . . . 25.0 116.813 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -88.72 129.58 35.51 Favored 'General case' 0 C--O 1.241 0.63 0 N-CA-C 104.472 -2.418 . . . . 25.0 104.472 164.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -144.82 145.23 31.54 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 106.179 -1.786 . . . . 25.0 106.179 -176.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.5 mp -131.02 169.76 15.41 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 122.528 0.331 . . . . 25.0 110.459 -174.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -147.03 154.09 40.79 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.841 -0.429 . . . . 25.0 109.841 175.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 56.2 mt -136.61 137.53 40.22 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 106.116 -1.809 . . . . 25.0 106.116 177.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -126.19 148.11 49.51 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 106.736 -1.579 . . . . 25.0 106.736 175.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 75.86 48.55 9.92 Favored Glycine 0 C--O 1.228 -0.249 0 N-CA-C 110.421 -1.071 . . . . 25.0 110.421 -178.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -87.08 126.98 35.11 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.944 0.72 . . . . 25.0 112.944 -175.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 75.2 m80 -82.29 69.63 9.07 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 107.37 -1.344 . . . . 25.0 107.37 167.056 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -61.6 -27.76 68.87 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.567 -0.742 . . . . 25.0 109.935 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.15 -25.62 67.13 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.93 -0.577 . . . . 25.0 111.388 176.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 82.7 p -123.44 29.84 6.49 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 111.814 0.302 . . . . 25.0 111.814 179.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.8 pp -61.17 156.6 17.95 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.383 0.611 . . . . 25.0 112.138 -176.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 44.8 t -149.34 155.09 39.95 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.858 -0.61 . . . . 25.0 109.472 -178.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -95.85 -10.76 28.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.565 0.697 . . . . 25.0 109.426 175.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -76.94 -17.26 80.01 Favored Glycine 0 CA--C 1.516 0.107 0 CA-C-N 115.948 -0.569 . . . . 25.0 114.289 -175.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -79.13 -2.31 40.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 122.327 -0.514 . . . . 25.0 112.113 -178.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 16.1 mt -89.38 152.43 3.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 106.511 -1.663 . . . . 25.0 106.511 178.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 7.4 p -50.12 -29.0 5.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 N-CA-C 115.025 1.491 . . . . 25.0 115.025 -177.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 . . . . . 0 C--N 1.326 -0.428 0 N-CA-C 113.076 0.769 . . . . 25.0 113.076 -176.875 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 . . . . . 0 N--CA 1.479 1.008 0 N-CA-C 113.343 0.868 . . . . 25.0 113.343 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -111.83 -175.62 19.94 Favored Glycine 0 N--CA 1.453 -0.229 0 N-CA-C 111.765 -0.534 . . . . 25.0 111.765 -179.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 13.7 t -133.32 -179.58 5.6 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 106.608 -1.627 . . . . 25.0 106.608 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -77.65 128.24 33.77 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 107.653 -1.24 . . . . 25.0 107.653 177.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 128.88 -178.28 17.35 Favored Glycine 0 C--O 1.229 -0.172 0 N-CA-C 105.995 -2.842 . . . . 25.0 105.995 -169.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 27.8 m-20 -88.13 127.44 35.42 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 119.106 1.453 . . . . 25.0 110.246 -177.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -122.67 153.39 39.44 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 121.057 0.456 . . . . 50.0 111.572 -179.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 74.5 t -124.09 112.17 31.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 104.287 -2.486 . . . . 25.0 104.287 169.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.4 mt -121.69 135.41 54.96 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.236 -0.654 . . . . 25.0 109.236 -173.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 68.2 mt -130.69 123.54 54.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 108.022 -1.103 . . . . 25.0 108.022 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -88.26 160.78 30.95 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-O 121.652 0.584 . . . . 25.0 113.696 -178.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 18.6 t -87.28 -179.63 6.45 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 123.297 0.639 . . . . 25.0 110.03 178.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -77.5 -10.98 59.79 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 113.406 0.891 . . . . 25.0 113.406 -178.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 26.8 m -81.87 165.84 2.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 108.811 -0.811 . . . . 25.0 108.811 176.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.53 138.5 26.25 Favored Glycine 0 CA--C 1.518 0.272 0 N-CA-C 110.722 -0.951 . . . . 25.0 110.722 177.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -143.7 167.45 22.24 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.518 0.675 . . . . 50.0 112.308 -173.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -127.11 115.61 19.42 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 105.377 -2.082 . . . . 25.0 105.377 173.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 40.2 mt -129.17 116.77 41.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.372 0.605 . . . . 25.0 110.201 -173.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.6 p -104.83 137.3 42.83 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.138 -0.483 . . . . 25.0 110.001 178.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -91.02 -28.8 14.16 Favored Glycine 0 CA--C 1.519 0.294 0 N-CA-C 114.691 0.636 . . . . 25.0 114.691 -177.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.18 -164.4 54.42 Favored Glycine 0 C--O 1.243 0.7 0 C-N-CA 120.894 -0.67 . . . . 25.0 112.755 -178.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.35 169.1 17.0 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 121.994 -0.709 . . . . 25.0 109.349 177.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.66 166.68 41.15 Favored Glycine 0 C--O 1.24 0.502 0 CA-C-N 116.035 -0.529 . . . . 25.0 112.091 -179.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -83.58 113.08 20.58 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 107.829 -1.175 . . . . 25.0 107.829 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -119.31 163.38 17.24 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.649 0.611 . . . . 50.0 112.649 -173.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.6 ttt85 -130.05 124.37 32.69 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 105.169 -2.16 . . . . 25.0 105.169 169.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.5 mp -123.9 130.41 52.55 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 107.652 -1.24 . . . . 25.0 107.652 -177.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -116.49 137.24 52.33 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 104.751 -2.314 . . . . 25.0 104.751 170.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -96.02 -27.16 10.47 Favored Glycine 0 C--O 1.228 -0.261 0 C-N-CA 121.42 -0.419 . . . . 25.0 112.301 -178.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 73.86 -166.46 54.69 Favored Glycine 0 C--O 1.244 0.737 0 N-CA-C 110.935 -0.866 . . . . 25.0 110.935 -177.042 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.4 176.31 5.44 Favored 'General case' 0 C--O 1.246 0.918 0 O-C-N 122.114 -0.639 . . . . 25.0 109.727 177.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 81.81 164.45 33.61 Favored Glycine 0 C--O 1.239 0.439 0 N-CA-C 110.078 -1.209 . . . . 25.0 110.078 -177.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -81.48 131.72 35.29 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 107.098 -1.445 . . . . 25.0 107.098 -179.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -133.07 150.21 52.11 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 113.908 1.077 . . . . 50.0 113.908 -172.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.6 mp -111.07 126.43 54.81 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 106.724 -1.584 . . . . 25.0 106.724 176.207 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.7 mp -130.22 130.48 44.69 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.144 0.424 . . . . 25.0 112.144 -176.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -112.01 126.36 55.07 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 109.61 -0.515 . . . . 25.0 109.61 177.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -78.89 -52.85 4.78 Favored Glycine 0 C--O 1.249 1.038 0 C-N-CA 120.36 -0.924 . . . . 25.0 114.519 -177.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.92 -178.57 53.73 Favored Glycine 0 C--O 1.247 0.941 0 O-C-N 122.155 -0.615 . . . . 25.0 112.571 -178.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.56 160.73 16.01 Favored 'General case' 0 C--O 1.241 0.613 0 N-CA-C 109.447 -0.575 . . . . 25.0 109.447 177.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 87.21 168.77 45.11 Favored Glycine 0 N--CA 1.462 0.368 0 N-CA-C 109.38 -1.488 . . . . 25.0 109.38 -175.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.2 ptp85 -92.04 133.13 36.01 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 107.474 -1.306 . . . . 25.0 107.474 179.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -129.23 161.94 29.02 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.16 0.505 . . . . 50.0 111.533 -170.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -128.03 121.89 30.87 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 104.174 -2.528 . . . . 25.0 104.174 178.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.4 mp -124.82 99.78 6.31 Favored 'General case' 0 C--N 1.321 -0.631 0 O-C-N 123.366 0.416 . . . . 25.0 111.286 -173.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 16.7 m -87.97 112.56 22.72 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.706 -0.479 . . . . 25.0 109.706 -179.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -77.92 -43.37 14.33 Favored Glycine 0 C--O 1.24 0.521 0 C-N-CA 119.843 -1.17 . . . . 25.0 111.61 -178.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.38 -160.94 53.55 Favored Glycine 0 C--O 1.238 0.378 0 N-CA-C 111.077 -0.809 . . . . 25.0 111.077 -179.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 76.8 mt -62.05 153.84 28.57 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.123 0.487 . . . . 25.0 111.134 178.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 92.4 167.22 39.54 Favored Glycine 0 C--O 1.241 0.569 0 CA-C-N 115.209 -0.905 . . . . 25.0 111.046 -178.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -82.92 128.69 34.68 Favored 'General case' 0 C--O 1.218 -0.564 0 N-CA-C 106.29 -1.745 . . . . 25.0 106.29 177.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -126.14 145.34 50.4 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.874 -0.417 . . . . 50.0 109.874 -175.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.7 t -117.61 129.78 55.97 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 108.708 -0.849 . . . . 25.0 108.708 176.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -111.93 109.64 19.54 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 105.982 -1.859 . . . . 25.0 105.982 -178.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 59.9 ttt180 -112.79 145.82 39.91 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.81 -0.632 . . . . 25.0 111.987 -170.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 26.2 p90 -74.03 144.51 45.06 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 107.736 -1.209 . . . . 25.0 107.736 174.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -103.61 -39.97 6.5 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 106.494 -1.669 . . . . 25.0 106.494 170.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -128.34 161.11 30.2 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 106.698 -1.593 . . . . 25.0 106.698 175.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 7.6 ptt85 -64.45 -22.34 66.93 Favored 'General case' 0 C--O 1.215 -0.727 0 CA-C-O 121.463 0.649 . . . . 25.0 110.364 175.002 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -81.89 1.04 36.96 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.978 -0.556 . . . . 25.0 112.395 -175.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -61.21 -30.92 70.72 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.804 0.668 . . . . 25.0 112.804 -176.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 40.5 p -118.55 22.88 11.83 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 122.257 1.027 . . . . 25.0 112.325 -176.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 46.9 t-80 -89.67 145.64 25.08 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 115.356 -0.838 . . . . 25.0 112.853 -172.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -128.38 157.31 41.38 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 109.295 -0.632 . . . . 25.0 109.295 176.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 75.4 p -149.3 165.69 17.06 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 107.383 -1.34 . . . . 25.0 107.383 -178.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -70.27 -13.74 33.71 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 116.201 -2.066 . . . . 25.0 112.604 175.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 80.1 mt -83.16 -1.79 53.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.152 0.501 . . . . 25.0 110.3 177.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 143.27 151.82 5.55 Favored Glycine 0 N--CA 1.449 -0.49 0 CA-C-O 121.881 0.711 . . . . 25.0 112.959 178.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.94 130.95 34.78 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 107.994 -1.113 . . . . 25.0 107.994 176.386 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -120.66 14.12 11.73 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.887 -0.783 . . . . 25.0 108.887 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 89.7 p -73.63 169.17 17.83 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.079 -0.964 . . . . 25.0 109.069 179.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -111.96 158.3 19.67 Favored 'General case' 0 CA--C 1.51 -0.576 0 N-CA-C 113.032 0.753 . . . . 50.0 113.032 -175.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 9.6 mp -115.01 131.7 56.84 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 105.803 -1.925 . . . . 25.0 105.803 174.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 55.8 mt -104.43 144.32 14.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 N-CA-C 104.216 -2.512 . . . . 25.0 104.216 176.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -124.45 150.39 45.73 Favored 'General case' 0 C--N 1.316 -0.874 0 C-N-CA 123.421 0.688 . . . . 25.0 109.544 -174.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 53.49 50.36 17.52 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-O 122.12 0.962 . . . . 25.0 109.818 178.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -83.98 129.63 34.91 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.671 -1.15 . . . . 25.0 112.131 -175.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -102.33 101.09 17.67 Favored Pre-proline 0 C--N 1.324 -0.502 0 N-CA-C 108.997 -0.742 . . . . 25.0 108.997 177.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -68.22 -7.56 20.36 Favored 'Trans proline' 0 N--CA 1.474 0.336 0 N-CA-C 115.265 1.217 . . . . 25.0 115.265 -177.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 42.1 t -94.43 -9.93 34.05 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 111.965 0.357 . . . . 25.0 111.965 177.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -136.22 -34.56 0.79 Allowed 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 114.795 1.406 . . . . 25.0 114.795 -171.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -83.22 156.96 22.89 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.373 0.606 . . . . 50.0 111.791 -171.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 33.6 tptt -127.76 144.01 51.11 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.98 -0.555 . . . . 25.0 111.423 -175.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 73.4 mt -123.11 113.05 36.23 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 N-CA-C 109.026 -0.731 . . . . 25.0 109.026 178.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -97.66 108.67 21.43 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.622 -0.717 . . . . 25.0 109.716 -179.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.6 m -133.0 32.07 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 CA-C-O 122.178 0.99 . . . . 25.0 110.105 -177.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.23 -21.41 59.51 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 114.874 1.435 . . . . 25.0 114.874 -176.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.67 -20.56 64.45 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 113.515 0.931 . . . . 25.0 113.515 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 11.0 mt -88.96 -41.4 12.41 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.786 0.803 . . . . 25.0 109.067 -176.028 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.534 0 CA-C-N 113.854 -1.521 . . . . 25.0 112.347 178.181 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 . . . . . 0 N--CA 1.469 0.504 0 CA-C-O 120.773 0.321 . . . . 25.0 110.364 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 82.68 -1.24 88.44 Favored Glycine 0 N--CA 1.459 0.224 0 N-CA-C 115.46 0.944 . . . . 25.0 115.46 -178.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -137.38 154.52 49.99 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.677 -0.49 . . . . 25.0 109.677 -179.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 57.3 48.22 15.36 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 114.24 1.2 . . . . 25.0 114.24 175.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 76.83 30.26 56.22 Favored Glycine 0 C--O 1.237 0.291 0 C-N-CA 120.573 -0.823 . . . . 25.0 112.234 173.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 18.5 p -134.19 141.78 47.18 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 105.042 -2.207 . . . . 25.0 105.042 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 31.8 mt -89.41 151.5 22.0 Favored 'General case' 0 C--O 1.215 -0.744 0 N-CA-C 115.947 1.832 . . . . 25.0 115.947 -170.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -133.04 149.26 52.2 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 104.677 -2.342 . . . . 25.0 104.677 166.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 7.2 p -131.41 150.82 34.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 109.465 -0.569 . . . . 25.0 109.465 -175.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 35.7 m -143.0 157.08 44.88 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 105.948 -1.871 . . . . 25.0 105.948 177.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 95.8 mt . . . . . 0 C--N 1.321 -0.632 0 N-CA-C 110.015 -0.365 . . . . 25.0 110.015 -178.41 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 . . . . . 0 CA--C 1.513 -0.459 0 N-CA-C 108.556 -0.905 . . . . 25.0 108.556 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 33.3 m -135.35 141.86 45.65 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.93 -0.767 . . . . 25.0 108.93 -173.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -130.33 138.72 50.58 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 107.692 -1.225 . . . . 25.0 107.692 -178.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.6 mp -128.19 144.71 51.14 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.524 0.202 . . . . 25.0 111.189 -176.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 46.1 mmtt -127.44 153.93 45.68 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 106.296 -1.742 . . . . 25.0 106.296 179.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 18.8 t -149.93 -32.14 0.2 Allowed 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 115.166 1.543 . . . . 25.0 115.166 177.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . 0.412 ' HA ' ' HA ' ' A' ' 127' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.477 0.903 0 CA-C-O 122.518 1.152 . . . . 25.0 109.876 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.412 ' HA ' ' HA ' ' A' ' 119' ' ' TYR . 18.9 t . . . . . 0 CA--C 1.516 -0.351 0 CA-C-O 121.343 0.592 . . . . 25.0 110.508 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -140.26 151.65 45.29 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 106.019 -1.845 . . . . 25.0 106.019 178.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -141.18 150.26 42.51 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.554 -0.906 . . . . 25.0 108.554 179.261 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 5.5 mp -128.01 159.73 34.11 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.267 -1.012 . . . . 25.0 108.267 178.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -142.38 149.21 39.08 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.03 -1.1 . . . . 25.0 108.03 177.207 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 36.9 mt -135.11 138.82 44.15 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 105.623 -1.991 . . . . 25.0 105.623 179.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -126.71 150.44 49.04 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 106.275 -1.75 . . . . 25.0 106.275 176.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 73.25 46.41 27.08 Favored Glycine 0 C--O 1.228 -0.227 0 C-N-CA 120.129 -1.034 . . . . 25.0 110.754 -179.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 57.6 m-80 -89.19 135.95 33.28 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 113.982 1.104 . . . . 25.0 113.982 -174.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 70.2 m80 -84.16 64.83 8.46 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 107.3 -1.371 . . . . 25.0 107.3 166.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -62.49 -26.12 68.37 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 115.983 -0.553 . . . . 25.0 110.318 -179.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -62.24 -24.65 67.37 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 115.997 -0.547 . . . . 25.0 111.516 176.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 70.4 p -121.77 29.43 7.14 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 120.51 0.195 . . . . 25.0 111.518 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.1 pp -57.94 149.93 21.73 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.674 0.749 . . . . 25.0 112.283 -176.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 30.5 t -154.11 155.03 34.65 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 106.926 -1.509 . . . . 25.0 106.926 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -90.57 2.92 55.36 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 120.834 0.349 . . . . 25.0 111.017 -179.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -63.01 -14.79 54.57 Favored Glycine 0 CA--C 1.521 0.423 0 N-CA-C 115.67 1.028 . . . . 25.0 115.67 -176.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -65.35 -23.23 66.94 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 113.464 0.913 . . . . 25.0 113.464 -178.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 67.0 mt -72.83 125.15 31.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 120.903 0.382 . . . . 25.0 110.889 -170.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 10.8 p -60.7 -27.6 41.1 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 N-CA-C 113.296 0.85 . . . . 25.0 113.296 -178.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 . . . . . 0 C--N 1.325 -0.477 0 N-CA-C 111.596 0.221 . . . . 25.0 111.596 179.389 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.6 pm0 . . . . . 0 CA--C 1.519 -0.216 0 N-CA-C 106.036 -1.838 . . . . 25.0 106.036 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -107.76 -168.6 21.68 Favored Glycine 0 C--O 1.229 -0.187 0 O-C-N 123.448 0.467 . . . . 25.0 113.791 -176.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.6 t -124.2 -175.27 3.2 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 105.479 -2.045 . . . . 25.0 105.479 177.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -81.94 3.26 27.07 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 120.837 -1.164 . . . . 25.0 113.054 -177.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -85.37 -166.53 42.03 Favored Glycine 0 CA--C 1.52 0.402 0 N-CA-C 109.438 -1.465 . . . . 25.0 109.438 171.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 61.2 m-20 -86.83 132.93 33.7 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 118.352 1.076 . . . . 25.0 108.499 177.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -128.67 149.14 50.8 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 120.88 0.371 . . . . 50.0 111.79 -178.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 97.8 t -125.86 112.6 31.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 104.779 -2.304 . . . . 25.0 104.779 171.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 89.6 mt -121.61 147.97 45.15 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.738 0.304 . . . . 25.0 111.254 -174.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 41.2 mm -125.68 132.37 70.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 106.066 -1.828 . . . . 25.0 106.066 178.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -85.87 177.26 49.53 Favored Glycine 0 C--O 1.227 -0.324 0 C-N-CA 121.027 -0.606 . . . . 25.0 111.954 179.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 72.7 p -117.44 178.56 4.34 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.312 -0.996 . . . . 25.0 108.312 179.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -71.82 -19.9 61.92 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 114.549 1.314 . . . . 25.0 114.549 -175.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.8 m -79.6 166.1 2.64 Favored 'Isoleucine or valine' 0 C--O 1.24 0.592 0 N-CA-C 109.418 -0.586 . . . . 25.0 109.418 178.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.75 138.23 26.87 Favored Glycine 0 N--CA 1.452 -0.26 0 N-CA-C 110.269 -1.133 . . . . 25.0 110.269 177.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -140.44 159.47 42.12 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.409 0.623 . . . . 50.0 112.455 -174.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -118.78 108.57 15.02 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 104.952 -2.24 . . . . 25.0 104.952 172.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 78.7 mt -115.41 124.54 72.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 108.77 -0.826 . . . . 25.0 108.77 -172.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 57.3 p -116.37 133.16 56.33 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.262 0.553 . . . . 25.0 110.315 179.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -91.96 -29.38 11.72 Favored Glycine 0 C--O 1.228 -0.245 0 CA-C-N 115.932 -0.576 . . . . 25.0 112.864 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.48 -157.42 53.49 Favored Glycine 0 C--O 1.243 0.691 0 C-N-CA 120.956 -0.64 . . . . 25.0 111.769 -178.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.52 -179.41 2.99 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 121.788 -0.83 . . . . 25.0 109.351 177.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.77 168.08 36.14 Favored Glycine 0 C--O 1.244 0.751 0 C-N-CA 121.111 -0.566 . . . . 25.0 112.208 -178.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.44 ' HB3' HH12 ' A' ' 45' ' ' ARG . 39.1 m-20 -88.43 114.2 24.8 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.539 -0.911 . . . . 25.0 108.539 -178.526 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -118.88 162.52 18.36 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 113.749 1.018 . . . . 50.0 113.749 -173.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.7 ttp180 -129.23 116.55 19.33 Favored 'General case' 0 CA--C 1.508 -0.642 0 N-CA-C 104.797 -2.298 . . . . 25.0 104.797 169.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 71.5 mt -112.91 147.37 37.2 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 108.446 -0.946 . . . . 25.0 108.446 -176.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -142.7 137.76 30.09 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 104.851 -2.277 . . . . 25.0 104.851 175.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -101.05 -21.86 11.39 Favored Glycine 0 N--CA 1.449 -0.438 0 O-C-N 123.359 0.412 . . . . 25.0 112.23 -178.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 66.16 -156.67 49.94 Favored Glycine 0 C--O 1.242 0.598 0 C-N-CA 120.78 -0.724 . . . . 25.0 111.448 -176.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.96 172.88 10.12 Favored 'General case' 0 C--O 1.241 0.638 0 O-C-N 121.949 -0.736 . . . . 25.0 110.532 178.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.97 166.82 36.52 Favored Glycine 0 C--O 1.234 0.11 0 N-CA-C 110.61 -0.996 . . . . 25.0 110.61 -177.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -84.06 132.9 34.68 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 107.705 -1.22 . . . . 25.0 107.705 -178.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -135.83 154.74 51.09 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 114.458 1.281 . . . . 50.0 114.458 -171.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.4 mp -113.11 129.04 56.64 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 106.521 -1.659 . . . . 25.0 106.521 173.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.1 mp -126.1 106.98 9.97 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.914 0.388 . . . . 25.0 110.992 -178.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -95.13 107.99 20.08 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 108.863 -0.791 . . . . 25.0 108.863 -178.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -67.96 -47.73 58.36 Favored Glycine 0 C--O 1.248 0.984 0 N-CA-C 115.542 0.977 . . . . 25.0 115.542 -174.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.29 -176.84 53.96 Favored Glycine 0 C--O 1.236 0.256 0 O-C-N 122.313 -0.522 . . . . 25.0 113.003 -178.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.12 161.9 12.63 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 122.043 -0.68 . . . . 25.0 110.309 178.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.01 167.74 42.4 Favored Glycine 0 C--O 1.241 0.575 0 N-CA-C 110.483 -1.047 . . . . 25.0 110.483 -177.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.6 ptp85 -88.32 125.78 34.86 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 106.736 -1.579 . . . . 25.0 106.736 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -127.24 162.75 25.47 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 121.147 0.499 . . . . 50.0 111.367 -172.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.44 HH12 ' HB3' ' A' ' 25' ' ' ASP . 1.0 OUTLIER -127.53 123.04 34.9 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 103.891 -2.633 . . . . 25.0 103.891 177.782 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.1 mp -121.76 115.85 23.43 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.694 -0.484 . . . . 25.0 109.694 -172.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.4 m -108.12 117.32 33.84 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.925 -0.769 . . . . 25.0 108.925 -178.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -80.76 -39.0 14.68 Favored Glycine 0 C--O 1.237 0.343 0 C-N-CA 119.608 -1.282 . . . . 25.0 113.885 -176.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.34 -166.26 54.22 Favored Glycine 0 C--O 1.242 0.611 0 N-CA-C 110.652 -0.979 . . . . 25.0 110.652 -176.477 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.6 mt -65.44 156.82 31.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 122.521 -0.399 . . . . 25.0 109.945 177.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 93.46 168.97 38.76 Favored Glycine 0 C--O 1.245 0.811 0 N-CA-C 110.804 -0.918 . . . . 25.0 110.804 -178.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.89 125.5 32.06 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 106.779 -1.563 . . . . 25.0 106.779 178.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -125.14 145.96 49.71 Favored 'General case' 0 C--N 1.317 -0.845 0 O-C-N 122.07 -0.394 . . . . 50.0 110.49 -174.477 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.3 t -117.04 132.02 56.79 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.555 -0.906 . . . . 25.0 108.555 173.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -107.68 124.84 50.59 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 105.338 -2.097 . . . . 25.0 105.338 -178.012 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 13.4 ttt180 -127.19 149.06 50.15 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 114.577 1.325 . . . . 25.0 114.577 -163.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -75.93 165.09 25.48 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.243 -1.344 . . . . 25.0 109.245 171.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -134.19 -28.44 1.33 Allowed 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 109.393 -0.595 . . . . 25.0 109.393 166.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 39.5 tp -141.93 160.38 40.32 Favored 'General case' 0 C--O 1.218 -0.573 0 N-CA-C 107.215 -1.402 . . . . 25.0 107.215 178.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -64.12 -21.21 66.45 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 121.482 -0.761 . . . . 25.0 112.296 177.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -84.05 10.62 9.57 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.157 0.503 . . . . 25.0 111.707 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.64 -40.69 84.15 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 113.84 1.052 . . . . 25.0 113.84 -178.699 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 70.6 m -140.88 98.76 3.46 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.542 -0.91 . . . . 25.0 108.542 -179.014 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 15.7 t-80 -147.49 162.63 38.67 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 107.921 -1.14 . . . . 25.0 107.921 -171.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -135.99 159.04 42.9 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 107.945 -1.131 . . . . 25.0 107.945 171.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 88.6 p -154.73 169.71 9.74 Favored Pre-proline 0 C--N 1.323 -0.575 0 N-CA-C 106.102 -1.814 . . . . 25.0 106.102 -177.193 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -70.59 -7.83 22.22 Favored 'Trans proline' 0 CA--C 1.536 0.622 0 C-N-CA 115.53 -2.514 . . . . 25.0 113.68 177.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.7 mp -80.07 -7.18 58.73 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 109.948 -0.39 . . . . 25.0 109.948 176.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 135.85 174.17 13.28 Favored Glycine 0 N--CA 1.45 -0.395 0 CA-C-O 121.701 0.612 . . . . 25.0 112.047 178.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.1 t -82.66 145.93 29.37 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.922 -0.77 . . . . 25.0 108.922 177.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -132.42 17.06 4.44 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 106.787 -1.56 . . . . 25.0 106.787 174.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 88.4 p -77.01 150.57 35.81 Favored 'General case' 0 CA--C 1.516 -0.346 0 N-CA-C 109.091 -0.707 . . . . 25.0 109.091 -179.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -92.55 162.06 14.35 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 123.35 0.406 . . . . 50.0 111.608 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.1 tp -125.7 131.05 52.65 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.809 -1.182 . . . . 25.0 107.809 178.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 24.5 mt -108.08 141.52 23.11 Favored 'Isoleucine or valine' 0 C--O 1.238 0.478 0 CA-C-O 121.447 0.642 . . . . 25.0 109.318 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -126.85 155.93 42.16 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.078 -1.419 . . . . 25.0 107.459 -177.269 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 55.47 36.0 26.23 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.111 0.964 . . . . 25.0 111.322 176.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -83.42 123.24 29.49 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.142 -0.936 . . . . 25.0 109.37 178.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -100.77 110.25 60.17 Favored Pre-proline 0 C--N 1.318 -0.766 0 N-CA-C 106.664 -1.606 . . . . 25.0 106.664 177.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -68.1 -18.59 45.67 Favored 'Trans proline' 0 C--O 1.222 -0.283 0 N-CA-C 115.868 1.449 . . . . 25.0 115.868 -171.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.3 t -86.49 -11.97 50.23 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.339 0.496 . . . . 25.0 112.339 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 83.7 mm-40 -132.23 -36.19 1.16 Allowed 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 115.101 1.519 . . . . 25.0 115.101 -171.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -84.85 161.21 19.99 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.693 -0.484 . . . . 50.0 109.693 -176.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -141.23 156.99 45.83 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 122.266 -0.272 . . . . 25.0 111.602 -179.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 19.3 mt -123.01 121.31 62.84 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 CA-C-O 120.861 0.362 . . . . 25.0 110.435 178.18 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -95.38 122.28 37.93 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.251 -1.018 . . . . 25.0 108.251 176.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 24.5 m -129.75 26.05 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 CA-C-O 121.409 0.623 . . . . 25.0 112.345 -176.019 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 35.9 t -57.5 -34.79 69.43 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 114.544 1.313 . . . . 25.0 114.544 -175.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.98 -18.45 61.98 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 113.065 0.765 . . . . 25.0 113.065 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 12.8 mt -86.58 -29.89 22.27 Favored 'General case' 0 C--O 1.217 -0.605 0 N-CA-C 105.316 -2.105 . . . . 25.0 105.316 178.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.449 0 CA-C-N 114.097 -1.41 . . . . 25.0 116.232 167.835 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 . . . . . 0 N--CA 1.468 0.46 0 N-CA-C 107.956 -1.127 . . . . 25.0 107.956 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 76.19 7.62 84.73 Favored Glycine 0 C--O 1.223 -0.548 0 N-CA-C 116.549 1.38 . . . . 25.0 116.549 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.434 ' HA ' ' HB3' ' A' ' 119' ' ' TYR . 98.3 m-85 -142.37 154.01 44.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 117.842 0.821 . . . . 25.0 111.662 179.425 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 49.64 57.43 6.53 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 114.568 1.321 . . . . 25.0 114.568 171.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.1 18.21 61.4 Favored Glycine 0 C--O 1.24 0.529 0 C-N-CA 120.147 -1.025 . . . . 25.0 113.042 174.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 16.3 p -132.66 144.88 50.63 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 104.85 -2.278 . . . . 25.0 104.85 177.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 86.8 mt -96.67 156.19 16.45 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 117.453 2.39 . . . . 25.0 117.453 -167.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -132.7 156.17 47.5 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 104.67 -2.344 . . . . 25.0 104.67 169.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 11.0 p -126.36 151.57 32.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 108.782 -0.822 . . . . 25.0 108.782 -178.369 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 61.4 p -152.59 170.07 21.11 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 107.75 -1.204 . . . . 25.0 107.75 -178.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 44.9 mt . . . . . 0 C--N 1.326 -0.438 0 N-CA-C 109.624 -0.51 . . . . 25.0 109.624 -178.073 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 79.6 mtt180 . . . . . 0 CA--C 1.509 -0.608 0 N-CA-C 108.181 -1.044 . . . . 25.0 108.181 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 17.9 m -119.25 144.31 46.83 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 106.216 -1.772 . . . . 25.0 106.216 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -132.43 147.82 52.39 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.133 -0.692 . . . . 25.0 109.133 179.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.6 mp -128.22 145.89 50.9 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 107.864 -1.161 . . . . 25.0 107.864 178.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 38.8 tttt -138.43 138.45 38.19 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.91 -0.404 . . . . 25.0 109.91 179.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.3 t -98.47 -17.22 18.88 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 121.455 0.645 . . . . 25.0 110.862 178.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . 0.434 ' HB3' ' HA ' ' A' ' 99' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.473 0.708 0 CA-C-O 122.57 1.176 . . . . 25.0 113.816 174.599 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 31.1 p . . . . . 0 C--O 1.242 0.665 0 N-CA-C 114.356 1.243 . . . . 25.0 114.356 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -86.4 141.12 29.39 Favored 'General case' 0 C--O 1.244 0.769 0 CA-C-N 115.092 -0.958 . . . . 25.0 109.93 176.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -144.15 145.51 32.16 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 107.456 -1.313 . . . . 25.0 107.456 176.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 1.9 mt -129.84 165.14 22.6 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 123.33 0.652 . . . . 25.0 109.46 -177.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -142.28 150.71 41.21 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.32 0.581 . . . . 25.0 110.102 176.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 55.7 mt -132.9 149.32 52.26 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 103.82 -2.659 . . . . 25.0 103.82 176.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.11 179.89 6.31 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 120.001 -0.68 . . . . 25.0 110.197 179.155 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -80.8 56.43 4.78 Favored Glycine 0 C--O 1.224 -0.524 0 CA-C-O 122.288 0.938 . . . . 25.0 112.178 -176.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -109.62 -165.15 0.99 Allowed 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 103.953 -2.61 . . . . 25.0 103.953 179.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -67.36 -3.8 9.21 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 121.572 0.701 . . . . 25.0 110.913 174.346 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -59.89 -27.21 66.52 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.154 0.582 . . . . 25.0 111.036 172.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -68.62 -18.41 64.3 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 111.753 0.279 . . . . 25.0 111.753 -179.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 76.1 p -112.49 35.58 3.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.84 0.352 . . . . 25.0 110.054 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -63.23 150.44 43.07 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.748 0.785 . . . . 25.0 112.625 -179.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 37.9 t -97.85 156.72 16.46 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.115 -1.068 . . . . 25.0 108.115 176.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.0 -17.84 64.54 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.562 0.696 . . . . 25.0 110.328 176.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -73.1 -22.03 79.34 Favored Glycine 0 CA--C 1.522 0.47 0 CA-C-N 115.383 -0.826 . . . . 25.0 114.654 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -90.56 27.92 1.62 Allowed 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 118.387 1.093 . . . . 25.0 111.859 -177.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 8.0 mt -124.86 158.88 32.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 106.596 -1.631 . . . . 25.0 106.596 179.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 2.9 p -57.65 -16.89 6.44 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.759 0 N-CA-C 113.995 1.109 . . . . 25.0 113.995 -177.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 . . . . . 0 N--CA 1.467 0.399 0 N-CA-C 111.963 0.356 . . . . 25.0 111.963 178.975 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.477 0.918 0 N-CA-C 111.862 0.319 . . . . 25.0 111.862 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -93.12 167.58 29.28 Favored Glycine 0 N--CA 1.454 -0.119 0 C-N-CA 121.382 -0.437 . . . . 25.0 113.803 -176.159 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.6 t -96.91 -175.33 3.24 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 106.407 -1.701 . . . . 25.0 106.407 176.102 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -84.26 4.22 31.86 Favored 'General case' 0 C--N 1.322 -0.606 0 O-C-N 120.963 -1.086 . . . . 25.0 112.809 -178.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -85.28 -166.13 41.37 Favored Glycine 0 C--N 1.319 -0.38 0 N-CA-C 108.951 -1.659 . . . . 25.0 108.951 171.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -88.86 130.48 35.39 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.791 -1.188 . . . . 25.0 107.791 177.13 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -124.7 150.25 46.35 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 120.895 0.379 . . . . 50.0 111.616 -177.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 89.2 t -127.62 106.42 15.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 105.417 -2.068 . . . . 25.0 105.417 171.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 93.9 mt -122.73 143.89 49.52 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.43 -0.35 . . . . 25.0 110.69 -176.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 81.6 mt -130.79 125.38 58.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 106.883 -1.525 . . . . 25.0 106.883 177.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -81.27 158.59 40.14 Favored Glycine 0 N--CA 1.451 -0.361 0 CA-C-O 121.682 0.601 . . . . 25.0 113.369 -178.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 89.1 p -82.36 -179.36 7.39 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 123.319 0.647 . . . . 25.0 110.148 178.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -73.15 -14.35 61.35 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 115.112 1.523 . . . . 25.0 115.112 -176.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.7 m -85.39 167.86 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 108.945 -0.761 . . . . 25.0 108.945 178.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.85 137.11 25.11 Favored Glycine 0 N--CA 1.454 -0.154 0 C-N-CA 120.426 -0.893 . . . . 25.0 111.301 178.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -142.01 161.52 37.77 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.144 0.497 . . . . 50.0 111.566 -175.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -119.11 117.83 29.77 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 105.341 -2.096 . . . . 25.0 105.341 172.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 44.1 mt -126.4 118.11 50.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.374 0.607 . . . . 25.0 109.861 -175.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 73.6 p -108.66 141.6 40.38 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.682 -0.858 . . . . 25.0 108.682 177.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -94.68 -23.91 19.61 Favored Glycine 0 C--N 1.323 -0.158 0 N-CA-C 114.542 0.577 . . . . 25.0 114.542 -176.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.65 -159.43 53.2 Favored Glycine 0 C--O 1.246 0.847 0 N-CA-C 111.39 -0.684 . . . . 25.0 111.39 -176.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.42 178.64 3.33 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 122.129 -0.63 . . . . 25.0 109.587 177.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.75 166.84 37.98 Favored Glycine 0 C--O 1.242 0.595 0 C-N-CA 121.111 -0.566 . . . . 25.0 112.08 -178.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -91.73 112.28 24.14 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 107.479 -1.304 . . . . 25.0 107.479 -178.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -117.64 164.39 15.02 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 114.67 1.359 . . . . 50.0 114.67 -170.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 67.1 ttt180 -124.02 124.72 43.18 Favored 'General case' 0 CA--C 1.507 -0.684 0 N-CA-C 104.297 -2.483 . . . . 25.0 104.297 167.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 76.5 mt -125.12 113.05 17.2 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 107.115 -1.439 . . . . 25.0 107.115 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -106.32 136.51 45.92 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 105.174 -2.158 . . . . 25.0 105.174 175.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -90.19 -27.4 20.91 Favored Glycine 0 C--N 1.322 -0.242 0 N-CA-C 112.174 -0.37 . . . . 25.0 112.174 -178.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 72.84 -159.57 53.67 Favored Glycine 0 C--O 1.243 0.704 0 N-CA-C 110.639 -0.984 . . . . 25.0 110.639 -177.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.93 172.39 11.69 Favored 'General case' 0 C--O 1.244 0.778 0 N-CA-C 109.538 -0.541 . . . . 25.0 109.538 178.089 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 82.33 166.73 38.82 Favored Glycine 0 C--O 1.239 0.461 0 N-CA-C 110.067 -1.213 . . . . 25.0 110.067 -176.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -85.4 129.44 34.81 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 107.518 -1.289 . . . . 25.0 107.518 -178.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -131.77 153.95 49.58 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 114.235 1.198 . . . . 50.0 114.235 -171.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.0 mp -113.89 127.71 56.09 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 106.72 -1.585 . . . . 25.0 106.72 175.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.6 mp -127.09 122.21 33.66 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.699 0.285 . . . . 25.0 111.281 -176.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -112.51 113.13 25.15 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 109.873 -0.418 . . . . 25.0 109.873 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.44 -47.8 75.09 Favored Glycine 0 C--O 1.248 1.006 0 N-CA-C 115.594 0.998 . . . . 25.0 115.594 -175.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.14 179.46 51.98 Favored Glycine 0 CA--C 1.519 0.331 0 N-CA-C 111.46 -0.656 . . . . 25.0 111.46 -176.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.71 153.54 16.45 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 122.09 -0.653 . . . . 25.0 109.885 179.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.84 169.77 39.96 Favored Glycine 0 C--O 1.242 0.62 0 N-CA-C 111.015 -0.834 . . . . 25.0 111.015 -176.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.5 ptt180 -94.69 127.51 40.72 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 106.425 -1.694 . . . . 25.0 106.425 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -127.6 168.52 14.89 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 116.278 -0.419 . . . . 50.0 111.853 -170.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.78 115.3 19.82 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 106.276 -1.75 . . . . 25.0 106.276 176.309 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.7 mp -113.29 101.1 9.09 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.632 -0.507 . . . . 25.0 109.632 -173.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.1 m -94.58 112.57 24.32 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.677 -0.49 . . . . 25.0 109.677 -178.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -75.18 -42.4 28.94 Favored Glycine 0 C--O 1.242 0.628 0 C-N-CA 119.44 -1.362 . . . . 25.0 113.482 -176.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.413 ' H ' ' HB2' ' A' ' 77' ' ' ASP . . . 74.48 -163.59 54.45 Favored Glycine 0 C--O 1.243 0.673 0 N-CA-C 111.141 -0.784 . . . . 25.0 111.141 -177.537 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.1 mt -63.85 155.95 28.98 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.907 0.384 . . . . 25.0 110.394 177.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 89.99 168.67 43.07 Favored Glycine 0 C--O 1.242 0.648 0 N-CA-C 110.973 -0.851 . . . . 25.0 110.973 -178.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -80.06 132.5 35.98 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 107.154 -1.424 . . . . 25.0 107.154 179.102 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -130.61 143.69 50.92 Favored 'General case' 0 C--N 1.317 -0.827 0 O-C-N 121.941 -0.475 . . . . 50.0 110.659 -176.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.1 t -120.3 131.67 54.99 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.437 -0.949 . . . . 25.0 108.437 176.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -113.18 116.5 29.9 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 105.596 -2.002 . . . . 25.0 105.596 -177.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 56.0 ttt85 -126.56 150.17 48.99 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.903 0.859 . . . . 25.0 112.528 -168.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 45.3 p90 -67.95 150.36 48.6 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.79 -1.095 . . . . 25.0 110.47 176.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -114.41 -29.24 6.94 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 107.881 -1.155 . . . . 25.0 107.881 167.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -131.73 163.03 29.08 Favored 'General case' 0 C--O 1.214 -0.811 0 N-CA-C 104.84 -2.282 . . . . 25.0 104.84 176.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 29.3 ptt180 -71.27 -19.84 62.29 Favored 'General case' 0 C--O 1.211 -0.943 0 CA-C-N 119.243 0.929 . . . . 25.0 110.416 174.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -95.16 12.46 28.71 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.733 0.778 . . . . 25.0 111.654 -175.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -57.3 -32.36 66.57 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.102 -0.954 . . . . 25.0 113.53 -178.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 46.3 p -133.16 85.44 2.21 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.415 -0.958 . . . . 25.0 108.415 179.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 43.8 t-80 -140.23 147.62 40.3 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.64 -0.709 . . . . 25.0 111.445 -170.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 47.8 mtt-85 -119.24 155.93 30.84 Favored 'General case' 0 C--O 1.22 -0.494 0 N-CA-C 108.147 -1.057 . . . . 25.0 108.147 175.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.5 t -150.03 155.73 37.71 Favored Pre-proline 0 C--N 1.318 -0.776 0 N-CA-C 104.595 -2.372 . . . . 25.0 104.595 179.266 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -67.33 -13.77 40.53 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 115.498 -2.535 . . . . 25.0 112.23 174.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 74.4 mt -86.2 -1.32 57.34 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 112.205 0.446 . . . . 25.0 112.205 178.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 144.84 164.9 10.85 Favored Glycine 0 C--O 1.225 -0.439 0 N-CA-C 111.947 -0.461 . . . . 25.0 111.947 -179.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 14.9 t -114.75 142.91 45.88 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.489 0.662 . . . . 25.0 111.113 -178.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -126.06 12.83 7.79 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 107.759 -1.2 . . . . 25.0 107.759 -178.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 78.2 p -66.15 140.43 58.2 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.281 -0.872 . . . . 25.0 109.575 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -93.51 158.49 15.68 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.815 0.34 . . . . 50.0 110.39 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 9.5 mp -114.49 132.53 56.25 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 105.34 -2.096 . . . . 25.0 105.34 173.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 26.8 mt -107.85 140.56 25.79 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 N-CA-C 105.269 -2.122 . . . . 25.0 105.269 176.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 62.1 mt -128.27 156.11 43.53 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.054 -0.975 . . . . 25.0 109.322 -172.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.413 ' HB2' ' H ' ' A' ' 49' ' ' GLY . 32.3 m-20 55.34 38.5 30.42 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.769 0.827 . . . . 25.0 110.126 -178.433 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -79.38 117.72 20.61 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-O 121.949 0.881 . . . . 25.0 110.544 -178.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -76.49 143.66 72.72 Favored Pre-proline 0 C--N 1.317 -0.825 0 CA-C-N 114.699 -1.137 . . . . 25.0 108.567 179.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -76.38 -12.05 18.93 Favored 'Trans proline' 0 C--N 1.341 0.157 0 N-CA-C 115.739 1.4 . . . . 25.0 115.739 -173.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.5 m -149.12 17.11 0.95 Allowed 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 113.321 0.86 . . . . 25.0 113.321 -177.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -132.18 -9.15 3.38 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 112.024 0.379 . . . . 25.0 112.024 -178.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -113.87 150.46 33.59 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.154 -1.054 . . . . 50.0 108.154 -178.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 48.1 tttm -136.94 145.42 44.21 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.022 0.379 . . . . 25.0 112.022 -170.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 58.2 mt -117.48 124.98 73.74 Favored 'Isoleucine or valine' 0 C--O 1.238 0.472 0 CA-C-O 121.069 0.461 . . . . 25.0 109.839 -178.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -111.71 114.22 27.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.135 0.493 . . . . 25.0 110.565 -178.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 15.6 m -127.53 36.35 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 CA-C-O 121.876 0.846 . . . . 25.0 110.96 -177.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.43 -15.26 24.82 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 115.166 1.543 . . . . 25.0 115.166 -177.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -76.26 -4.77 43.74 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 113.38 0.882 . . . . 25.0 113.38 -179.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 23.1 mt -104.13 -67.5 0.89 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.655 0.741 . . . . 25.0 109.623 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.538 0 N-CA-C 107.169 -2.372 . . . . 25.0 107.169 -171.702 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 . . . . . 0 N--CA 1.475 0.822 0 N-CA-C 114.306 1.224 . . . . 25.0 114.306 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 83.08 1.94 90.58 Favored Glycine 0 CA--C 1.51 -0.274 0 C-N-CA 121.081 -0.581 . . . . 25.0 112.154 -175.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.422 ' HA ' ' HB3' ' A' ' 119' ' ' TYR . 97.9 m-85 -140.61 162.47 35.3 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 106.504 -1.665 . . . . 25.0 106.504 -179.399 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 59.61 42.52 17.13 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 124.041 0.838 . . . . 25.0 112.27 179.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 72.91 20.87 80.06 Favored Glycine 0 CA--C 1.511 -0.208 0 C-N-CA 120.875 -0.678 . . . . 25.0 113.371 174.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 28.2 p -119.96 143.64 47.91 Favored 'General case' 0 CA--C 1.51 -0.568 0 N-CA-C 107.546 -1.279 . . . . 25.0 107.546 179.117 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -77.33 159.65 29.38 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 113.66 0.985 . . . . 25.0 113.66 -175.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -158.42 161.99 37.54 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 106.122 -1.807 . . . . 25.0 106.122 163.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 8.7 p -129.66 153.75 39.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 107.976 -1.12 . . . . 25.0 107.976 178.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 43.7 m -146.37 161.78 39.61 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.086 -1.079 . . . . 25.0 108.086 179.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 81.9 mt . . . . . 0 C--N 1.323 -0.554 0 N-CA-C 108.663 -0.865 . . . . 25.0 108.663 178.908 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 20.8 mtt-85 . . . . . 0 CA--C 1.509 -0.602 0 N-CA-C 108.632 -0.877 . . . . 25.0 108.632 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 7.3 m -133.41 147.87 51.77 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.015 -0.735 . . . . 25.0 109.015 -175.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -131.86 145.15 51.37 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 107.859 -1.163 . . . . 25.0 107.859 178.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.6 mp -129.1 144.25 51.14 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 107.008 -1.479 . . . . 25.0 107.008 -179.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 31.8 mttt -130.88 160.27 34.96 Favored 'General case' 0 C--O 1.22 -0.464 0 N-CA-C 112.245 0.461 . . . . 25.0 112.245 -179.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 48.2 t -145.37 -41.78 0.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.28 -1.378 . . . . 25.0 107.28 170.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . 0.427 ' HA ' ' HA ' ' A' ' 127' ' ' SER . 1.4 t80 . . . . . 0 N--CA 1.474 0.733 0 N-CA-C 114.352 1.241 . . . . 25.0 114.352 171.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.427 ' HA ' ' HA ' ' A' ' 119' ' ' TYR . 13.7 m . . . . . 0 CA--C 1.51 -0.57 0 CA-C-O 121.946 0.879 . . . . 25.0 111.306 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -94.29 119.22 32.75 Favored 'General case' 0 C--N 1.309 -1.174 0 N-CA-C 107.048 -1.464 . . . . 25.0 107.048 178.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -146.36 152.9 39.84 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.868 -1.16 . . . . 25.0 107.868 179.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 2.2 mt -128.58 160.39 32.55 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.504 -0.924 . . . . 25.0 108.504 178.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -136.1 148.17 48.15 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 107.461 -1.311 . . . . 25.0 107.461 175.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 24.8 mt -131.49 146.85 52.44 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 103.006 -2.961 . . . . 25.0 103.006 176.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -143.95 154.86 43.75 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 107.422 -1.325 . . . . 25.0 107.422 179.045 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 67.01 47.17 66.72 Favored Glycine 0 CA--C 1.516 0.154 0 N-CA-C 109.667 -1.373 . . . . 25.0 109.667 -175.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -100.69 148.35 24.97 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 115.325 1.602 . . . . 25.0 115.325 -170.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 70.0 m80 -83.07 46.66 1.14 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.444 -1.253 . . . . 25.0 109.012 169.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -61.04 -29.88 69.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.308 -0.405 . . . . 25.0 111.393 -176.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -62.24 -23.15 66.51 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 116.366 -0.379 . . . . 25.0 111.847 178.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 69.6 p -127.68 29.59 5.45 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 122.235 0.214 . . . . 25.0 111.165 -178.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 4.0 pp -63.01 161.27 13.4 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 112.84 0.682 . . . . 25.0 112.84 -175.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 16.0 t -143.2 161.84 37.19 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.879 -0.786 . . . . 25.0 108.879 177.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -93.91 170.29 9.66 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.031 0.444 . . . . 25.0 110.722 -178.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 91.35 -3.97 79.92 Favored Glycine 0 C--O 1.226 -0.371 0 N-CA-C 115.63 1.012 . . . . 25.0 115.63 174.241 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -76.19 40.31 0.21 Allowed 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 113.546 0.943 . . . . 25.0 113.546 -179.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 1.4 pp -137.09 160.43 36.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.146 0.498 . . . . 25.0 111.057 -177.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 9.1 p -59.66 -24.25 28.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 N-CA-C 115.106 1.521 . . . . 25.0 115.106 -176.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 . . . . . 0 C--N 1.324 -0.532 0 N-CA-C 113.621 0.971 . . . . 25.0 113.621 -174.227 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 19.8 pm0 . . . . . 0 CA--C 1.532 0.257 0 CA-C-O 120.771 0.32 . . . . 25.0 111.293 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -111.84 -175.42 19.91 Favored Glycine 0 N--CA 1.455 -0.095 0 N-CA-C 109.244 -1.543 . . . . 25.0 109.244 176.022 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.3 t -134.06 177.83 7.43 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.377 -0.971 . . . . 25.0 108.377 -178.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -76.09 142.91 41.57 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.022 -1.103 . . . . 25.0 108.022 178.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 107.96 -174.43 19.16 Favored Glycine 0 C--O 1.229 -0.168 0 N-CA-C 106.393 -2.683 . . . . 25.0 106.393 -169.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -91.32 135.55 33.73 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 119.252 1.526 . . . . 25.0 110.577 -176.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -123.43 149.15 45.4 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 121.011 0.434 . . . . 50.0 110.996 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 68.0 t -129.14 104.35 10.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 105.206 -2.146 . . . . 25.0 105.206 171.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 89.1 mt -121.56 137.4 54.75 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.416 -0.356 . . . . 25.0 110.213 -175.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 75.9 mt -126.35 124.6 65.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 106.441 -1.689 . . . . 25.0 106.441 178.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -81.85 158.22 38.53 Favored Glycine 0 N--CA 1.448 -0.543 0 CA-C-O 121.801 0.667 . . . . 25.0 113.058 -178.156 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 77.8 p -88.36 -179.95 6.21 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.827 -0.687 . . . . 25.0 109.316 178.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -74.33 -12.84 60.65 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 115.0 1.481 . . . . 25.0 115.0 -175.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.5 m -84.36 168.17 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.076 -0.713 . . . . 25.0 109.076 177.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.84 138.96 27.83 Favored Glycine 0 N--CA 1.452 -0.263 0 N-CA-C 110.637 -0.985 . . . . 25.0 110.637 177.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -143.01 161.97 36.71 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.42 0.629 . . . . 50.0 112.495 -174.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -111.1 122.56 48.18 Favored 'General case' 0 C--O 1.239 0.518 0 N-CA-C 105.019 -2.215 . . . . 25.0 105.019 170.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 78.2 mt -127.04 138.19 55.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 107.658 -1.238 . . . . 25.0 107.658 -172.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 92.2 p -139.9 156.26 46.78 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 121.796 -0.565 . . . . 25.0 109.852 177.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -105.92 -34.99 3.09 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 121.345 -0.455 . . . . 25.0 112.648 178.055 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 70.7 -155.9 53.08 Favored Glycine 0 C--O 1.244 0.755 0 N-CA-C 110.131 -1.188 . . . . 25.0 110.131 -176.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.44 167.08 20.37 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 118.157 0.979 . . . . 25.0 109.175 178.045 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 88.54 171.6 46.27 Favored Glycine 0 C--O 1.243 0.699 0 CA-C-N 116.122 -0.49 . . . . 25.0 113.075 178.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -85.78 117.97 24.98 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 107.631 -1.248 . . . . 25.0 107.631 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -123.44 155.93 36.5 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 112.691 0.626 . . . . 50.0 112.691 -174.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -124.51 118.6 26.98 Favored 'General case' 0 CA--C 1.505 -0.773 0 N-CA-C 105.088 -2.19 . . . . 25.0 105.088 172.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 64.4 mt -122.77 124.01 42.37 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 108.674 -0.861 . . . . 25.0 108.674 -174.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -116.63 139.45 50.51 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 105.873 -1.899 . . . . 25.0 105.873 173.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -96.33 -29.47 8.36 Favored Glycine 0 C--N 1.321 -0.263 0 C-N-CA 121.584 -0.341 . . . . 25.0 113.016 -179.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 70.05 -158.52 53.47 Favored Glycine 0 C--O 1.245 0.828 0 N-CA-C 110.608 -0.997 . . . . 25.0 110.608 -176.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.31 173.26 9.78 Favored 'General case' 0 C--O 1.243 0.757 0 CA-C-O 121.27 0.557 . . . . 25.0 109.708 178.234 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 81.07 164.56 32.43 Favored Glycine 0 C--O 1.239 0.411 0 N-CA-C 110.081 -1.208 . . . . 25.0 110.081 -176.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -84.21 132.77 34.63 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 107.507 -1.294 . . . . 25.0 107.507 -178.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -132.85 149.27 52.28 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 113.555 0.946 . . . . 50.0 113.555 -172.361 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.4 mp -108.13 128.78 54.99 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 105.543 -2.021 . . . . 25.0 105.543 176.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.7 mp -130.52 107.02 8.9 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 113.292 0.849 . . . . 25.0 113.292 -177.107 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -100.46 104.83 16.24 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-O 121.012 0.435 . . . . 25.0 110.232 178.127 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -63.14 -44.61 96.91 Favored Glycine 0 C--O 1.249 1.046 0 N-CA-C 115.789 1.075 . . . . 25.0 115.789 -175.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.46 175.52 43.31 Favored Glycine 0 CA--C 1.518 0.224 0 O-C-N 121.887 -0.772 . . . . 25.0 112.045 -178.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.68 152.63 11.84 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 122.014 -0.698 . . . . 25.0 111.429 -179.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.13 162.72 37.55 Favored Glycine 0 C--O 1.241 0.569 0 N-CA-C 110.634 -0.986 . . . . 25.0 110.634 -177.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.6 ptp85 -81.13 134.43 35.64 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 107.737 -1.208 . . . . 25.0 107.737 -179.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -131.4 165.11 24.23 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 116.352 -0.385 . . . . 50.0 110.282 -174.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.7 mpt_? -128.21 121.27 29.0 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 104.084 -2.562 . . . . 25.0 104.084 178.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.6 mp -124.11 98.41 5.77 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 123.435 0.46 . . . . 25.0 111.591 -170.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.3 m -91.52 111.04 22.38 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.208 -0.664 . . . . 25.0 109.208 179.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -73.46 -41.48 44.58 Favored Glycine 0 C--O 1.243 0.671 0 C-N-CA 119.756 -1.212 . . . . 25.0 113.657 -176.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.439 ' H ' ' HB2' ' A' ' 77' ' ' ASP . . . 76.32 -165.26 53.86 Favored Glycine 0 C--O 1.247 0.922 0 N-CA-C 111.506 -0.638 . . . . 25.0 111.506 -177.182 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.9 mt -65.59 158.06 28.14 Favored 'General case' 0 C--O 1.237 0.446 0 N-CA-C 109.863 -0.421 . . . . 25.0 109.863 177.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 88.76 169.59 44.86 Favored Glycine 0 C--O 1.243 0.712 0 N-CA-C 110.976 -0.85 . . . . 25.0 110.976 -178.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.83 131.5 36.49 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 107.483 -1.302 . . . . 25.0 107.483 179.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -130.55 140.21 50.47 Favored 'General case' 0 C--N 1.316 -0.854 0 O-C-N 121.884 -0.51 . . . . 50.0 110.176 -176.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.3 t -118.26 126.28 51.83 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.875 0.845 . . . . 25.0 108.805 176.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -106.58 122.57 46.58 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 105.326 -2.102 . . . . 25.0 105.326 -178.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 58.0 ttt-85 -124.56 145.06 49.79 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 114.193 1.183 . . . . 25.0 114.193 -167.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 34.3 p90 -70.92 155.9 40.25 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.182 -0.917 . . . . 25.0 109.77 173.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -127.95 -23.2 3.39 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 116.074 -0.512 . . . . 25.0 110.321 168.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -135.07 165.98 24.11 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 107.772 -1.196 . . . . 25.0 107.772 179.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -71.21 -29.62 65.38 Favored 'General case' 0 C--O 1.205 -1.269 0 N-CA-C 109.299 -0.63 . . . . 25.0 109.299 172.135 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -98.79 18.48 16.89 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 121.866 0.841 . . . . 25.0 110.938 -176.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -55.49 -37.66 68.11 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.893 -1.048 . . . . 25.0 111.1 -178.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 75.2 m -137.02 117.73 13.99 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 105.884 -1.895 . . . . 25.0 105.884 172.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -153.42 157.99 40.76 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.001 -0.74 . . . . 25.0 109.001 -173.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 58.0 mtt85 -132.52 159.38 39.58 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 118.832 0.742 . . . . 25.0 111.466 178.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 87.2 p -151.07 164.51 19.98 Favored Pre-proline 0 C--N 1.322 -0.622 0 N-CA-C 105.828 -1.916 . . . . 25.0 105.828 179.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -70.11 -13.56 33.94 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 116.21 -2.06 . . . . 25.0 112.723 176.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 81.6 mt -84.22 -2.95 57.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.87 0.367 . . . . 25.0 111.204 178.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 145.63 160.66 8.74 Favored Glycine 0 N--CA 1.452 -0.277 0 CA-C-O 121.923 0.735 . . . . 25.0 113.333 179.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.4 t -96.19 143.43 27.3 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.389 -0.597 . . . . 25.0 109.389 179.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -126.89 17.42 7.33 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 106.073 -1.825 . . . . 25.0 106.073 176.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 29.7 t -73.98 147.18 43.24 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 114.935 -1.03 . . . . 25.0 110.476 -179.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -85.61 159.72 19.78 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.75 -0.659 . . . . 50.0 109.888 175.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.6 mp -122.0 124.26 43.58 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 106.612 -1.625 . . . . 25.0 106.612 175.04 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 24.7 mt -104.76 141.16 20.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 108.215 -1.031 . . . . 25.0 108.215 178.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -127.62 158.3 37.89 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.985 -1.007 . . . . 25.0 109.596 -174.096 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.439 ' HB2' ' H ' ' A' ' 49' ' ' GLY . 36.0 m-20 56.77 39.21 29.76 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.237 1.015 . . . . 25.0 111.231 178.583 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -81.34 117.7 22.03 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-N 115.518 -0.765 . . . . 25.0 111.874 -178.131 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -73.75 153.85 89.29 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 114.782 -1.099 . . . . 25.0 111.477 -178.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -74.31 -17.61 21.29 Favored 'Trans proline' 0 C--N 1.346 0.433 0 N-CA-C 116.111 1.543 . . . . 25.0 116.111 -176.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 12.0 t -153.06 12.13 0.48 Allowed 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 114.071 1.137 . . . . 25.0 114.071 -177.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -121.52 -7.76 9.14 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 112.161 0.43 . . . . 25.0 112.161 -176.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -113.79 148.52 36.41 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.844 -0.799 . . . . 50.0 108.844 -177.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 38.8 tptt -125.66 142.75 51.35 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.516 -0.311 . . . . 25.0 111.086 -174.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 58.6 mt -117.6 106.43 19.94 Favored 'Isoleucine or valine' 0 C--O 1.244 0.814 0 N-CA-C 108.026 -1.102 . . . . 25.0 108.026 175.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -96.05 110.64 22.85 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.241 -1.022 . . . . 25.0 108.241 177.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -137.42 31.04 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 114.969 -1.014 . . . . 25.0 109.737 -175.659 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.7 t -59.68 -33.47 71.62 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 113.97 1.1 . . . . 25.0 113.97 -175.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -80.83 0.59 34.31 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 115.339 1.607 . . . . 25.0 115.339 -174.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 42.9 mt -76.66 -52.55 9.43 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 105.746 -1.946 . . . . 25.0 105.746 175.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.355 0 CA-C-N 113.372 -1.74 . . . . 25.0 112.101 -179.876 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.476 0.852 0 CA-C-O 120.831 0.348 . . . . 25.0 110.593 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 91.05 4.59 68.82 Favored Glycine 0 N--CA 1.461 0.303 0 N-CA-C 114.972 0.749 . . . . 25.0 114.972 174.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -137.53 163.07 32.05 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.058 -1.09 . . . . 25.0 108.058 179.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 56.01 37.07 28.44 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 113.061 0.763 . . . . 25.0 113.061 177.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 82.73 4.71 89.96 Favored Glycine 0 N--CA 1.453 -0.198 0 C-N-CA 121.202 -0.523 . . . . 25.0 114.1 176.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 43.7 p -100.02 142.62 31.26 Favored 'General case' 0 C--O 1.214 -0.791 0 N-CA-C 107.376 -1.342 . . . . 25.0 107.376 178.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 24.2 mt -79.66 160.23 26.41 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 114.602 1.334 . . . . 25.0 114.602 -176.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -154.39 156.79 37.47 Favored 'General case' 0 C--O 1.239 0.512 0 N-CA-C 104.339 -2.467 . . . . 25.0 104.339 167.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 9.2 p -137.14 155.43 32.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.061 -0.718 . . . . 25.0 109.061 -179.067 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 77.4 p -141.98 141.74 32.91 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 102.839 -3.023 . . . . 25.0 102.839 170.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.474 0.765 0 N-CA-C 116.861 2.171 . . . . 25.0 116.861 -172.227 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 78.9 mtt85 . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 105.808 -1.923 . . . . 25.0 105.808 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 47.9 m -100.61 133.92 44.34 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 107.057 -1.46 . . . . 25.0 107.057 -175.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -131.05 142.88 50.35 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.953 -0.758 . . . . 25.0 108.953 179.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 7.9 mp -119.77 134.68 55.14 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 103.426 -2.805 . . . . 25.0 103.426 175.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -131.53 153.85 49.4 Favored 'General case' 0 CA--C 1.51 -0.577 0 O-C-N 123.139 0.274 . . . . 25.0 110.557 -177.076 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 81.0 p -142.98 -17.64 0.67 Allowed 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 114.918 1.451 . . . . 25.0 114.918 176.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.544 0.747 0 N-CA-C 118.235 2.68 . . . . 25.0 118.235 -176.095 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 59.7 p . . . . . 0 CA--C 1.519 -0.233 0 N-CA-C 107.593 -1.262 . . . . 25.0 107.593 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -105.21 103.59 13.16 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 106.928 -1.508 . . . . 25.0 106.928 177.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -133.87 149.82 51.35 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.438 -0.801 . . . . 25.0 109.55 -169.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -130.45 164.66 24.29 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 120.69 0.281 . . . . 25.0 111.745 -176.217 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -137.84 147.93 44.99 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.3 -1.0 . . . . 25.0 108.3 175.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 4.1 mt -138.26 138.51 38.51 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 104.515 -2.402 . . . . 25.0 104.515 176.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -120.97 149.25 42.94 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.386 -0.598 . . . . 25.0 109.386 -176.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 57.71 39.28 90.98 Favored Glycine 0 N--CA 1.463 0.452 0 N-CA-C 114.813 0.685 . . . . 25.0 114.813 173.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -91.0 164.59 13.92 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 122.157 -0.613 . . . . 25.0 112.52 -174.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 78.3 m80 -77.83 55.51 1.4 Allowed 'General case' 0 C--O 1.216 -0.676 0 CA-C-N 114.959 -1.018 . . . . 25.0 109.302 169.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -57.76 -30.15 65.39 Favored 'General case' 0 C--O 1.22 -0.458 0 N-CA-C 112.151 0.426 . . . . 25.0 112.151 -175.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -69.39 -25.45 64.16 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 112.972 0.73 . . . . 25.0 112.972 179.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 61.8 p -126.72 -4.04 6.51 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 116.076 1.88 . . . . 25.0 116.076 -175.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.8 pp -77.5 161.88 27.58 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 121.734 -0.604 . . . . 25.0 110.656 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 84.3 p -126.19 161.56 27.42 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.091 -0.504 . . . . 25.0 109.808 177.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.54 -13.48 62.36 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 116.481 -0.327 . . . . 25.0 111.722 178.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -63.11 -19.48 61.58 Favored Glycine 0 CA--C 1.518 0.252 0 CA-C-N 116.49 -0.323 . . . . 25.0 113.169 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -72.63 -14.27 61.56 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 122.355 -0.497 . . . . 25.0 111.172 177.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 58.2 mt -97.13 140.38 17.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 105.057 -2.201 . . . . 25.0 105.057 178.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 8.3 p -55.56 -31.82 29.21 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 N-CA-C 113.271 0.841 . . . . 25.0 113.271 -178.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 . . . . . 0 C--N 1.326 -0.424 0 N-CA-C 113.516 0.932 . . . . 25.0 113.516 -179.473 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.956 0 CA-C-O 120.702 0.286 . . . . 25.0 111.072 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -92.66 -166.18 38.79 Favored Glycine 0 N--CA 1.452 -0.275 0 CA-C-O 121.509 0.505 . . . . 25.0 113.45 -177.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.9 t -131.28 -176.72 4.11 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 106.09 -1.819 . . . . 25.0 106.09 178.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -83.21 2.9 33.42 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 114.079 1.14 . . . . 25.0 114.079 -175.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -87.4 -173.57 48.37 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 108.417 -1.873 . . . . 25.0 108.417 171.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 49.8 m-20 -81.04 133.15 35.43 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 118.611 1.205 . . . . 25.0 108.415 178.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -127.03 149.4 49.92 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 112.153 0.427 . . . . 50.0 112.153 -176.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 86.1 t -130.07 104.11 9.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 105.334 -2.098 . . . . 25.0 105.334 170.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 93.3 mt -121.52 138.35 54.33 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.976 -0.379 . . . . 25.0 109.976 -176.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 75.0 mt -131.06 125.5 57.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 108.454 -0.943 . . . . 25.0 108.454 -179.087 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -89.73 174.46 41.13 Favored Glycine 0 CA--C 1.519 0.288 0 CA-C-O 121.569 0.538 . . . . 25.0 113.669 -178.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.6 t -108.3 -169.61 1.54 Allowed 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 123.951 0.9 . . . . 25.0 109.41 -178.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -74.29 -17.59 60.83 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 113.551 0.945 . . . . 25.0 113.551 -175.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 36.0 m -75.25 162.55 4.37 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 N-CA-C 109.491 -0.559 . . . . 25.0 109.491 178.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.38 135.43 19.65 Favored Glycine 0 C--O 1.229 -0.163 0 N-CA-C 110.396 -1.081 . . . . 25.0 110.396 178.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -138.82 164.82 28.63 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 112.435 0.531 . . . . 75.0 112.435 -173.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -129.95 115.78 17.66 Favored 'General case' 0 C--O 1.238 0.487 0 N-CA-C 106.835 -1.543 . . . . 25.0 106.835 176.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 53.5 mt -131.12 115.7 30.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.412 0.625 . . . . 25.0 110.72 -175.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 81.2 p -101.33 138.72 37.97 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.531 -0.914 . . . . 25.0 108.531 176.057 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -88.72 -30.62 14.77 Favored Glycine 0 C--O 1.227 -0.334 0 N-CA-C 114.901 0.72 . . . . 25.0 114.901 -178.266 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.22 -161.85 49.82 Favored Glycine 0 C--O 1.244 0.738 0 CA-C-N 117.862 0.831 . . . . 25.0 111.833 -177.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.15 179.03 2.98 Favored 'General case' 0 C--N 1.322 -0.606 0 O-C-N 121.935 -0.744 . . . . 25.0 109.873 177.32 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.47 166.47 34.69 Favored Glycine 0 C--O 1.243 0.661 0 N-CA-C 111.672 -0.571 . . . . 25.0 111.672 -177.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -88.21 125.12 34.47 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 106.492 -1.67 . . . . 25.0 106.492 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -132.06 161.23 33.74 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 114.88 1.437 . . . . 50.0 114.88 -171.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -123.6 121.82 36.56 Favored 'General case' 0 CA--C 1.509 -0.614 0 N-CA-C 106.193 -1.78 . . . . 25.0 106.193 167.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -122.97 104.96 9.57 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.259 -1.015 . . . . 25.0 108.259 -178.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -102.82 133.59 47.64 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 107.196 -1.409 . . . . 25.0 107.196 178.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -96.01 -26.44 11.45 Favored Glycine 0 C--O 1.226 -0.38 0 CA-C-N 116.263 -0.426 . . . . 25.0 113.194 -177.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 70.76 -159.56 53.8 Favored Glycine 0 CA--C 1.522 0.515 0 C-N-CA 120.794 -0.717 . . . . 25.0 111.616 -177.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.25 174.99 8.01 Favored 'General case' 0 C--O 1.245 0.828 0 O-C-N 121.776 -0.838 . . . . 25.0 110.137 179.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.82 168.37 39.17 Favored Glycine 0 C--O 1.237 0.289 0 N-CA-C 109.8 -1.32 . . . . 25.0 109.8 -176.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -83.12 139.07 33.41 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 107.216 -1.401 . . . . 25.0 107.216 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -140.42 151.7 45.11 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 113.494 0.924 . . . . 50.0 113.494 -172.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.7 mp -112.1 126.45 55.19 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 107.02 -1.474 . . . . 25.0 107.02 177.031 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.6 mp -132.69 133.47 43.58 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.674 0.62 . . . . 25.0 112.674 -176.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -116.93 138.27 51.66 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 109.067 -0.716 . . . . 25.0 109.067 175.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -85.04 -56.25 2.48 Favored Glycine 0 C--O 1.247 0.93 0 C-N-CA 120.235 -0.983 . . . . 25.0 114.225 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.81 -177.19 53.99 Favored Glycine 0 C--O 1.241 0.56 0 N-CA-C 111.406 -0.678 . . . . 25.0 111.406 -177.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.05 163.14 10.35 Favored 'General case' 0 C--O 1.24 0.594 0 N-CA-C 109.758 -0.46 . . . . 25.0 109.758 177.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 85.66 171.87 48.41 Favored Glycine 0 C--O 1.241 0.57 0 N-CA-C 110.452 -1.059 . . . . 25.0 110.452 -177.266 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.9 ptp85 -89.68 130.52 35.95 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 107.305 -1.369 . . . . 25.0 107.305 179.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -128.34 149.4 50.53 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.372 -0.376 . . . . 50.0 111.424 -173.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -123.25 111.59 16.63 Favored 'General case' 0 CA--C 1.509 -0.622 0 N-CA-C 105.587 -2.005 . . . . 25.0 105.587 179.293 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.2 mp -113.48 120.03 39.63 Favored 'General case' 0 C--O 1.214 -0.805 0 N-CA-C 109.686 -0.487 . . . . 25.0 109.686 -171.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.6 m -104.92 111.68 24.53 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.295 -0.631 . . . . 25.0 109.295 -178.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -77.23 -43.49 16.19 Favored Glycine 0 C--O 1.236 0.256 0 C-N-CA 119.777 -1.201 . . . . 25.0 112.358 -177.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 73.78 -164.44 54.78 Favored Glycine 0 C--O 1.243 0.683 0 C-N-CA 120.954 -0.641 . . . . 25.0 111.592 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.2 mp -63.94 155.45 30.82 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.483 -0.562 . . . . 25.0 109.483 178.394 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 92.68 167.96 39.5 Favored Glycine 0 C--O 1.245 0.843 0 N-CA-C 110.109 -1.196 . . . . 25.0 110.109 -178.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -84.11 130.04 34.87 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 106.531 -1.655 . . . . 25.0 106.531 178.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -126.12 145.61 50.27 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.483 -0.562 . . . . 50.0 109.483 -175.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.8 t -122.41 133.31 54.63 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.33 -0.989 . . . . 25.0 108.33 176.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -118.14 130.27 56.01 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 105.977 -1.86 . . . . 25.0 105.977 -176.193 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 59.7 ttt-85 -132.08 148.38 52.49 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.479 0.657 . . . . 25.0 112.4 -174.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -67.65 158.57 31.88 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.297 -1.001 . . . . 25.0 108.297 171.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -109.39 -38.53 5.45 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 107.189 -1.412 . . . . 25.0 107.189 167.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.2 tp -145.34 170.42 16.36 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.979 -0.749 . . . . 25.0 108.979 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 17.1 ttm180 -59.21 -31.89 69.44 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 121.54 0.686 . . . . 25.0 110.976 176.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -74.44 6.81 3.37 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 114.166 1.173 . . . . 25.0 114.166 -178.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.25 -36.02 76.81 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 113.544 0.942 . . . . 25.0 113.544 -178.434 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 38.2 p -149.52 104.09 3.33 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 118.438 0.563 . . . . 25.0 112.023 -176.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.42 ' HD2' ' CD1' ' A' ' 128' ' ' PHE . 8.3 t-80 -152.18 160.94 43.29 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.834 0.35 . . . . 25.0 110.286 -178.015 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 22.6 mtm105 -100.68 152.77 20.06 Favored 'General case' 0 C--O 1.216 -0.672 0 N-CA-C 106.952 -1.499 . . . . 25.0 106.952 174.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 28.5 t -150.52 158.0 36.09 Favored Pre-proline 0 C--N 1.319 -0.72 0 N-CA-C 106.465 -1.68 . . . . 25.0 106.465 -176.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -67.19 -13.7 40.54 Favored 'Trans proline' 0 CA--C 1.538 0.72 0 C-N-CA 115.578 -2.482 . . . . 25.0 112.739 173.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.9 mp -76.04 -6.34 50.63 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.396 0.617 . . . . 25.0 110.592 175.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 127.23 170.85 12.94 Favored Glycine 0 N--CA 1.45 -0.377 0 N-CA-C 109.117 -1.593 . . . . 25.0 109.117 -178.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 9.7 t -85.55 139.65 31.28 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.532 -0.914 . . . . 25.0 108.532 178.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -117.56 25.36 10.47 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.481 -1.303 . . . . 25.0 107.481 178.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.5 t -65.1 144.07 57.48 Favored 'General case' 0 C--O 1.242 0.707 0 CA-C-N 114.325 -1.307 . . . . 25.0 110.004 177.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -95.45 149.34 21.5 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.575 -0.739 . . . . 50.0 109.94 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.9 mp -121.28 130.61 53.75 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 106.002 -1.851 . . . . 25.0 106.002 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 18.8 mt -108.31 139.43 30.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 N-CA-C 106.4 -1.704 . . . . 25.0 106.4 176.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 49.9 mt -120.55 151.64 39.14 Favored 'General case' 0 C--N 1.311 -1.071 0 N-CA-C 108.254 -1.017 . . . . 25.0 108.254 -174.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 53.8 43.5 30.89 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-O 121.941 0.877 . . . . 25.0 109.384 -178.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -91.75 126.44 36.83 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.911 -1.04 . . . . 25.0 111.757 -175.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -96.31 101.99 10.01 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.123 -0.944 . . . . 25.0 109.148 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -67.59 -12.05 34.25 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 117.295 -1.337 . . . . 25.0 114.942 -176.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 39.4 t -87.99 -17.22 31.69 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.696 0.999 . . . . 25.0 113.696 177.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -132.92 -35.71 1.06 Allowed 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 114.77 1.396 . . . . 25.0 114.77 -170.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -78.15 159.39 28.64 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.322 -0.621 . . . . 50.0 109.322 -177.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 41.8 tptt -128.31 142.09 51.24 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 112.042 0.386 . . . . 25.0 112.042 -177.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 54.8 mt -122.69 110.63 27.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.668 0 C-N-CA 122.83 0.452 . . . . 25.0 110.7 179.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.09 114.27 26.06 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.612 0.72 . . . . 25.0 110.07 176.076 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.5 m -137.27 30.43 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 CA-C-N 115.136 -0.938 . . . . 25.0 109.792 -177.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.9 t -63.64 -36.89 85.32 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 113.081 0.771 . . . . 25.0 113.081 -176.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.57 -11.22 59.68 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 115.568 1.692 . . . . 25.0 115.568 -174.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 46.8 mt -66.85 -47.15 72.83 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 106.279 -1.748 . . . . 25.0 106.279 178.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.411 0 CA-C-N 113.624 -1.625 . . . . 25.0 111.498 179.646 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 8.5 m120 . . . . . 0 C--O 1.219 -0.522 0 N-CA-C 109.558 -0.534 . . . . 25.0 109.558 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 79.38 -1.96 73.96 Favored Glycine 0 CA--C 1.523 0.556 0 CA-C-N 116.116 -0.493 . . . . 25.0 114.203 -178.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -135.63 161.23 36.12 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.983 -0.747 . . . . 25.0 108.983 -179.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 56.38 37.88 29.22 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 113.724 1.009 . . . . 25.0 113.724 177.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 84.62 29.21 30.25 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.818 -0.706 . . . . 25.0 113.56 174.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 38.8 p -130.69 148.84 52.53 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 106.575 -1.639 . . . . 25.0 106.575 -178.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -94.74 141.4 28.67 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 117.085 2.254 . . . . 25.0 117.085 -168.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -146.42 159.79 42.93 Favored 'General case' 0 C--O 1.239 0.537 0 N-CA-C 106.074 -1.825 . . . . 25.0 106.074 169.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 7.3 p -124.87 143.31 38.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 104.985 -2.228 . . . . 25.0 104.985 176.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 39.4 p -138.2 152.44 48.63 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.654 -0.499 . . . . 25.0 109.654 -174.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 49.8 mt . . . . . 0 C--N 1.321 -0.643 0 CA-C-O 121.523 0.677 . . . . 25.0 109.904 -179.888 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 85.2 mtt-85 . . . . . 0 CA--C 1.513 -0.454 0 N-CA-C 106.955 -1.498 . . . . 25.0 106.955 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 7.0 m -135.88 147.38 48.17 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 107.935 -1.135 . . . . 25.0 107.935 -178.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -132.62 134.48 44.94 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 110.189 -0.3 . . . . 25.0 110.189 178.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 8.4 mp -101.11 132.49 46.54 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 105.584 -2.006 . . . . 25.0 105.584 178.313 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -126.32 147.21 49.77 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.154 0.427 . . . . 25.0 112.154 -174.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 34.2 t -135.81 -34.59 0.81 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.637 -1.165 . . . . 25.0 110.383 175.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.468 0.44 0 CA-C-N 114.848 -1.069 . . . . 25.0 113.605 -179.075 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 77.4 p . . . . . 0 CA--C 1.513 -0.46 0 N-CA-C 116.971 2.211 . . . . 25.0 116.971 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.42 ' CD1' ' HD2' ' A' ' 64' ' ' HIS . 83.4 m-85 -78.39 111.35 14.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.021 -0.991 . . . . 25.0 108.839 170.326 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -139.61 144.85 37.91 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 109.202 -0.666 . . . . 25.0 109.202 176.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.9 mp -136.19 162.05 34.04 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 107.019 -1.474 . . . . 25.0 107.019 179.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -137.43 155.33 49.47 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.3 -0.63 . . . . 25.0 109.3 176.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 35.0 mt -131.17 139.41 49.75 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 104.807 -2.294 . . . . 25.0 104.807 177.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -126.9 149.51 49.75 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.812 -0.44 . . . . 25.0 109.812 178.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 77.21 43.76 15.46 Favored Glycine 0 C--O 1.225 -0.418 0 N-CA-C 110.365 -1.094 . . . . 25.0 110.365 178.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 24.9 m120 -96.49 149.4 21.78 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 114.466 1.284 . . . . 25.0 114.466 -172.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -88.51 92.72 9.29 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.251 -1.341 . . . . 25.0 110.801 177.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -63.93 -26.45 68.6 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.205 -0.665 . . . . 25.0 109.205 173.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -60.67 -26.07 66.82 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.719 -0.673 . . . . 25.0 110.517 176.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 69.3 p -125.54 39.47 3.95 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 116.622 -0.263 . . . . 25.0 110.63 177.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.2 pp -57.61 137.81 55.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.643 0.735 . . . . 25.0 110.607 -177.076 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 40.8 t -160.46 151.02 18.39 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.291 -1.003 . . . . 25.0 108.291 -177.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -108.81 1.06 20.7 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.829 -0.804 . . . . 25.0 108.829 175.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -74.45 -14.46 80.95 Favored Glycine 0 C--N 1.332 0.312 0 CA-C-N 116.235 -0.439 . . . . 25.0 113.503 -176.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 13.1 p30 -72.38 -18.54 61.73 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 122.267 -0.549 . . . . 25.0 111.149 178.047 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 65.6 mt -77.89 140.91 16.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 104.979 -2.23 . . . . 25.0 104.979 175.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 10.2 p -56.96 -31.9 37.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 N-CA-C 112.942 0.719 . . . . 25.0 112.942 179.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 . . . . . 0 C--N 1.327 -0.372 0 O-C-N 122.321 -0.237 . . . . 25.0 111.535 177.875 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 . . . . . 0 N--CA 1.484 1.241 0 N-CA-C 114.837 1.421 . . . . 25.0 114.837 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -176.23 -163.56 28.96 Favored Glycine 0 C--N 1.329 0.162 0 N-CA-C 106.84 -2.504 . . . . 25.0 106.84 -177.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.3 t -146.9 175.34 10.73 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 118.291 1.045 . . . . 25.0 108.998 -179.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -81.3 142.72 32.83 Favored 'General case' 0 C--N 1.321 -0.642 0 O-C-N 121.242 -0.911 . . . . 25.0 109.003 177.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 122.53 -177.16 16.54 Favored Glycine 0 C--O 1.223 -0.554 0 N-CA-C 107.337 -2.305 . . . . 25.0 107.337 -172.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 20.5 m-20 -91.02 115.64 28.17 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 119.779 1.789 . . . . 25.0 108.6 179.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -111.47 157.72 19.97 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.232 0.539 . . . . 50.0 111.566 -173.02 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 93.5 t -123.4 112.94 35.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 103.41 -2.811 . . . . 25.0 103.41 164.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 53.8 mt -119.22 131.91 55.88 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.736 -0.839 . . . . 25.0 108.736 -174.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 80.1 mt -129.98 128.28 64.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 107.526 -1.287 . . . . 25.0 107.526 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -86.34 158.29 31.19 Favored Glycine 0 N--CA 1.448 -0.517 0 CA-C-O 121.685 0.603 . . . . 25.0 113.67 -178.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.9 t -81.93 178.33 8.36 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.511 -0.922 . . . . 25.0 108.511 176.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -74.21 -16.66 60.96 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.784 0.661 . . . . 25.0 112.784 -178.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.6 m -78.95 165.79 2.81 Favored 'Isoleucine or valine' 0 C--O 1.239 0.534 0 N-CA-C 109.431 -0.581 . . . . 25.0 109.431 177.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.23 140.14 28.0 Favored Glycine 0 CA--C 1.516 0.154 0 N-CA-C 110.903 -0.879 . . . . 25.0 110.903 177.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -144.75 167.41 22.64 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.312 0.577 . . . . 50.0 112.475 -175.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -115.55 120.5 39.67 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 105.303 -2.11 . . . . 25.0 105.303 167.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 74.3 mt -123.43 133.21 69.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 106.513 -1.662 . . . . 25.0 106.513 -175.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.8 p -135.8 128.2 30.36 Favored 'General case' 0 C--O 1.215 -0.727 0 N-CA-C 108.58 -0.896 . . . . 25.0 108.58 -178.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -81.12 -22.2 61.44 Favored Glycine 0 C--O 1.227 -0.321 0 C-N-CA 120.274 -0.965 . . . . 25.0 112.819 -177.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 65.35 -154.93 49.96 Favored Glycine 0 C--O 1.244 0.758 0 N-CA-C 110.727 -0.949 . . . . 25.0 110.727 -177.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.13 165.87 24.2 Favored 'General case' 0 C--O 1.245 0.868 0 O-C-N 122.062 -0.67 . . . . 25.0 109.469 178.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 89.48 169.46 44.1 Favored Glycine 0 C--O 1.239 0.451 0 CA-C-N 115.261 -0.881 . . . . 25.0 111.819 -179.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -92.08 112.5 24.46 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 107.707 -1.22 . . . . 25.0 107.707 -177.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -119.18 157.24 28.36 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 113.287 0.847 . . . . 50.0 113.287 -171.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 59.5 ttt85 -115.71 123.95 49.61 Favored 'General case' 0 CA--C 1.509 -0.627 0 N-CA-C 105.444 -2.058 . . . . 25.0 105.444 165.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.9 mp -111.14 142.56 43.15 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 105.914 -1.884 . . . . 25.0 105.914 178.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -132.5 136.09 46.43 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 104.287 -2.486 . . . . 25.0 104.287 168.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -91.47 -22.57 31.28 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 111.025 -0.83 . . . . 25.0 111.025 -179.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 67.91 -159.75 50.81 Favored Glycine 0 C--O 1.249 1.087 0 N-CA-C 109.778 -1.329 . . . . 25.0 109.778 -174.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.24 173.06 10.01 Favored 'General case' 0 C--O 1.245 0.856 0 O-C-N 122.086 -0.656 . . . . 25.0 110.143 178.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 81.59 166.3 36.67 Favored Glycine 0 C--O 1.238 0.37 0 N-CA-C 110.706 -0.957 . . . . 25.0 110.706 -177.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -83.59 132.9 34.88 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 106.918 -1.512 . . . . 25.0 106.918 -179.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -135.35 153.56 51.8 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 113.997 1.11 . . . . 50.0 113.997 -172.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.2 mp -106.37 125.85 51.51 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 104.832 -2.284 . . . . 25.0 104.832 174.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.8 mp -126.59 107.06 9.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.115 0.483 . . . . 25.0 111.297 -177.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -100.62 118.32 36.53 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.926 -0.768 . . . . 25.0 108.926 -178.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -68.59 -48.75 48.37 Favored Glycine 0 C--O 1.249 1.054 0 C-N-CA 120.273 -0.965 . . . . 25.0 114.886 -175.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.97 177.0 50.24 Favored Glycine 0 C--O 1.237 0.294 0 N-CA-C 111.2 -0.76 . . . . 25.0 111.2 -176.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.64 153.83 15.67 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 122.078 -0.66 . . . . 25.0 110.068 179.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 94.55 168.37 36.91 Favored Glycine 0 C--O 1.241 0.566 0 N-CA-C 111.091 -0.804 . . . . 25.0 111.091 -177.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.7 ptp85 -90.49 123.37 34.13 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 107.038 -1.467 . . . . 25.0 107.038 -179.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -124.0 157.77 33.64 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.258 -0.428 . . . . 50.0 111.505 -171.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -123.25 104.81 9.38 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 106.115 -1.809 . . . . 25.0 106.115 179.42 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.5 mp -102.54 113.0 26.0 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.082 -0.508 . . . . 25.0 109.691 -171.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.9 m -102.88 118.66 37.31 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 107.849 -1.167 . . . . 25.0 107.849 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -82.2 -39.38 11.39 Favored Glycine 0 C--O 1.245 0.844 0 C-N-CA 119.539 -1.315 . . . . 25.0 113.008 -176.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.52 -163.21 54.27 Favored Glycine 0 C--O 1.244 0.724 0 N-CA-C 110.564 -1.014 . . . . 25.0 110.564 -176.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 85.7 mt -64.47 157.56 26.3 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.004 0.43 . . . . 25.0 111.024 179.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 90.57 168.62 42.47 Favored Glycine 0 C--O 1.243 0.711 0 CA-C-N 115.379 -0.828 . . . . 25.0 111.065 -178.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.48 128.11 34.25 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 106.667 -1.605 . . . . 25.0 106.667 178.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -124.98 141.17 52.3 Favored 'General case' 0 C--N 1.318 -0.795 0 O-C-N 122.057 -0.402 . . . . 50.0 110.381 -175.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.1 t -112.35 118.39 35.11 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 107.74 -1.207 . . . . 25.0 107.74 176.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -99.33 128.33 45.44 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 106.566 -1.642 . . . . 25.0 106.566 -178.089 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -131.39 152.2 50.85 Favored 'General case' 0 CA--C 1.505 -0.782 0 N-CA-C 115.44 1.645 . . . . 25.0 115.44 -168.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -78.1 156.77 29.78 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 113.371 -1.74 . . . . 25.0 107.122 168.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -124.05 -3.97 8.03 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.678 -0.86 . . . . 25.0 108.678 168.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 32.8 tp -159.36 163.26 35.72 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 105.377 -2.083 . . . . 25.0 105.377 -178.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 40.0 ptt180 -69.77 -27.03 64.58 Favored 'General case' 0 C--O 1.21 -0.99 0 CA-C-N 119.327 0.967 . . . . 25.0 109.982 175.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -88.52 10.83 18.94 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.906 0.86 . . . . 25.0 111.374 -174.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -61.19 -35.46 77.21 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.212 -0.904 . . . . 25.0 112.802 -178.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.1 t -144.72 104.41 4.02 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.61 0.719 . . . . 25.0 110.115 -179.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -145.96 156.72 43.7 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.25 -1.018 . . . . 25.0 108.25 -172.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 49.9 mtm-85 -130.49 134.14 46.83 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 119.066 0.848 . . . . 25.0 110.405 175.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 24.5 t -124.88 154.8 70.9 Favored Pre-proline 0 C--N 1.324 -0.534 0 N-CA-C 106.673 -1.602 . . . . 25.0 106.673 -178.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -67.45 -15.55 45.57 Favored 'Trans proline' 0 CA--C 1.536 0.615 0 C-N-CA 115.996 -2.203 . . . . 25.0 112.696 173.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.8 mp -78.65 -9.4 59.38 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 120.885 0.374 . . . . 25.0 110.545 176.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 152.36 150.37 5.36 Favored Glycine 0 N--CA 1.451 -0.344 0 CA-C-O 121.663 0.591 . . . . 25.0 111.932 179.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.4 t -85.77 141.54 29.6 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.091 -0.707 . . . . 25.0 109.091 178.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -124.65 12.58 8.61 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 107.21 -1.404 . . . . 25.0 107.21 175.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 87.5 p -73.0 143.12 47.7 Favored 'General case' 0 C--O 1.244 0.783 0 CA-C-O 121.373 0.606 . . . . 25.0 110.14 -176.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -82.57 156.23 24.07 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.207 -0.906 . . . . 50.0 109.243 178.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.1 mp -120.91 127.81 52.2 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 105.076 -2.194 . . . . 25.0 105.076 177.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 39.5 mt -100.24 140.89 18.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 105.679 -1.971 . . . . 25.0 105.679 175.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -122.99 146.44 47.62 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 107.659 -1.238 . . . . 25.0 107.659 -174.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 53.47 44.18 30.28 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 122.452 1.12 . . . . 25.0 110.941 176.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -80.66 129.65 34.64 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.329 -1.305 . . . . 25.0 109.816 179.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -97.87 104.81 23.54 Favored Pre-proline 0 C--N 1.324 -0.521 0 N-CA-C 109.244 -0.65 . . . . 25.0 109.244 178.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -73.05 4.33 3.82 Favored 'Trans proline' 0 C--N 1.343 0.285 0 N-CA-C 114.998 1.115 . . . . 25.0 114.998 -177.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 26.5 t -102.32 -8.01 21.58 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 122.192 0.197 . . . . 25.0 111.427 176.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -144.48 -35.8 0.34 Allowed 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 115.351 1.611 . . . . 25.0 115.351 -173.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -80.42 153.49 28.23 Favored 'General case' 0 C--N 1.322 -0.589 0 O-C-N 122.213 -0.305 . . . . 50.0 110.769 -173.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 39.8 tptt -131.66 150.24 52.22 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 109.887 -0.412 . . . . 25.0 109.887 -175.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 43.7 mt -123.6 119.9 58.5 Favored 'Isoleucine or valine' 0 C--O 1.241 0.655 0 N-CA-C 109.375 -0.602 . . . . 25.0 109.375 179.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -90.99 129.01 37.04 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.937 -1.134 . . . . 25.0 107.937 177.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 31.2 m -133.42 21.51 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 CA-C-O 121.482 0.658 . . . . 25.0 111.849 -176.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 25.1 t -55.97 -40.18 72.87 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 114.324 1.231 . . . . 25.0 114.324 -174.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.61 -13.06 61.29 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 113.501 0.926 . . . . 25.0 113.501 -179.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 14.0 mt -87.9 -33.09 18.62 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 106.07 -1.826 . . . . 25.0 106.07 -179.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.354 0 N-CA-C 116.792 1.477 . . . . 25.0 116.792 168.427 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 . . . . . 0 N--CA 1.467 0.416 0 N-CA-C 108.751 -0.833 . . . . 25.0 108.751 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 85.15 1.08 88.63 Favored Glycine 0 N--CA 1.459 0.231 0 CA-C-N 115.953 -0.567 . . . . 25.0 114.337 179.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -140.76 158.01 44.59 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.654 -0.869 . . . . 25.0 108.654 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 56.02 48.89 16.82 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 113.944 1.09 . . . . 25.0 113.944 175.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 83.41 10.72 81.58 Favored Glycine 0 CA--C 1.51 -0.219 0 C-N-CA 120.693 -0.765 . . . . 25.0 114.108 172.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 21.1 p -118.54 131.02 56.23 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.907 -1.146 . . . . 25.0 107.907 -177.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -94.6 124.32 38.57 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 116.122 1.897 . . . . 25.0 116.122 -169.34 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -119.57 166.67 12.85 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 109.039 -0.726 . . . . 25.0 109.039 173.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 8.6 p -125.66 152.21 32.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 108.565 -0.902 . . . . 25.0 108.565 -177.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 38.2 m -143.0 161.55 37.81 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 107.366 -1.346 . . . . 25.0 107.366 179.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 26.6 mt . . . . . 0 C--N 1.322 -0.604 0 N-CA-C 109.641 -0.503 . . . . 25.0 109.641 -179.346 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 82.2 mtt85 . . . . . 0 CA--C 1.506 -0.718 0 N-CA-C 109.348 -0.612 . . . . 25.0 109.348 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 4.5 m -134.15 150.02 51.08 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 106.939 -1.504 . . . . 25.0 106.939 -178.271 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -133.33 144.75 49.85 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.108 -1.071 . . . . 25.0 108.108 -178.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 8.2 mp -124.62 132.93 53.4 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 106.507 -1.664 . . . . 25.0 106.507 179.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 67.0 tttt -138.75 132.16 30.28 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 111.518 0.192 . . . . 25.0 111.518 -176.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.2 t -120.25 -27.17 5.31 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 123.776 0.673 . . . . 25.0 111.489 176.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 5.4 t80 . . . . . 0 N--CA 1.472 0.667 0 CA-C-O 122.537 1.16 . . . . 25.0 112.761 177.866 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 56.9 p . . . . . 0 CA--C 1.515 -0.372 0 N-CA-C 110.338 -0.245 . . . . 25.0 110.338 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -126.62 138.57 53.46 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.623 -0.88 . . . . 25.0 108.623 178.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -147.3 151.47 36.65 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.148 -1.056 . . . . 25.0 108.148 -175.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 2.2 mt -132.85 169.06 17.3 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 122.854 0.462 . . . . 25.0 111.26 -175.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -148.21 160.33 43.05 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.747 -0.834 . . . . 25.0 108.747 175.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 40.8 mt -138.32 139.49 39.11 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 105.586 -2.005 . . . . 25.0 105.586 179.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.98 144.79 51.74 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 106.708 -1.589 . . . . 25.0 106.708 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 56.95 50.1 66.52 Favored Glycine 0 C--O 1.228 -0.249 0 C-N-CA 120.356 -0.926 . . . . 25.0 112.173 176.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -107.6 161.48 14.82 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 122.372 -0.487 . . . . 25.0 109.982 -176.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 71.1 m80 -77.43 67.7 3.41 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.982 -0.748 . . . . 25.0 108.982 172.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -61.29 -29.94 70.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.942 -0.572 . . . . 25.0 110.278 -179.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.05 -26.76 67.85 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.928 -0.578 . . . . 25.0 111.684 178.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 66.8 p -126.3 26.8 6.35 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 111.943 0.349 . . . . 25.0 111.943 -179.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.4 pp -64.43 154.04 36.9 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.414 0.626 . . . . 25.0 111.835 -175.196 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 99.5 p -149.93 142.93 24.9 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.784 -0.821 . . . . 25.0 108.784 176.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -86.09 -4.93 59.27 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 121.107 0.48 . . . . 25.0 111.466 -178.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -67.62 -10.84 58.88 Favored Glycine 0 C--O 1.227 -0.325 0 C-N-CA 121.29 -0.481 . . . . 25.0 114.031 -178.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -87.64 -6.24 58.36 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 112.563 0.579 . . . . 25.0 112.563 -178.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 84.7 mt -74.67 144.1 12.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 102.565 -3.124 . . . . 25.0 102.565 170.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 4.4 p -53.05 -32.96 19.06 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 N-CA-C 113.466 0.913 . . . . 25.0 113.466 -176.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 . . . . . 0 C--N 1.329 -0.311 0 N-CA-C 113.54 0.941 . . . . 25.0 113.54 -179.481 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 . . . . . 0 N--CA 1.482 1.16 0 N-CA-C 113.924 1.083 . . . . 25.0 113.924 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -172.18 -161.4 22.62 Favored Glycine 0 C--O 1.235 0.161 0 N-CA-C 107.538 -2.225 . . . . 25.0 107.538 179.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.3 t -148.96 173.43 13.34 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 107.414 -1.328 . . . . 25.0 107.414 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -81.91 148.72 28.61 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 119.17 0.895 . . . . 25.0 109.206 177.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 117.16 -176.0 15.98 Favored Glycine 0 C--O 1.224 -0.492 0 N-CA-C 107.685 -2.166 . . . . 25.0 107.685 -172.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 46.9 m-20 -91.44 105.75 17.99 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 119.344 1.572 . . . . 25.0 108.994 -179.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -95.74 154.38 17.25 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.663 0.268 . . . . 50.0 110.964 -173.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 65.3 t -129.12 103.37 9.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 104.492 -2.41 . . . . 25.0 104.492 167.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 64.5 mt -123.12 139.43 54.07 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.222 -0.445 . . . . 25.0 111.089 -172.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 89.3 mt -129.37 126.88 64.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 105.715 -1.958 . . . . 25.0 105.715 176.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -77.81 158.13 46.3 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.965 -0.636 . . . . 25.0 113.077 -177.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.5 t -77.21 174.94 10.17 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 107.775 -1.195 . . . . 25.0 107.775 176.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -76.23 -10.3 59.3 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 112.729 0.641 . . . . 25.0 112.729 -178.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.7 m -79.93 166.0 2.65 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 N-CA-C 109.217 -0.66 . . . . 25.0 109.217 175.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.47 139.75 27.13 Favored Glycine 0 CA--C 1.516 0.124 0 N-CA-C 111.028 -0.829 . . . . 25.0 111.028 177.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -146.84 163.9 34.56 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 113.381 0.882 . . . . 50.0 113.381 -174.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -108.6 124.27 50.23 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 104.059 -2.571 . . . . 25.0 104.059 161.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 58.2 mt -124.39 120.14 58.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 N-CA-C 105.536 -2.024 . . . . 25.0 105.536 -178.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 45.6 p -120.07 142.49 48.82 Favored 'General case' 0 C--O 1.214 -0.815 0 N-CA-C 108.552 -0.907 . . . . 25.0 108.552 -175.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -97.51 -22.34 16.84 Favored Glycine 0 C--O 1.225 -0.413 0 C-N-CA 120.421 -0.895 . . . . 25.0 112.246 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 62.55 -148.22 49.34 Favored Glycine 0 C--O 1.244 0.773 0 C-N-CA 120.252 -0.975 . . . . 25.0 110.792 -178.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.54 162.39 28.83 Favored 'General case' 0 C--O 1.245 0.867 0 CA-C-O 121.358 0.599 . . . . 25.0 109.813 178.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.05 167.6 37.43 Favored Glycine 0 C--O 1.239 0.408 0 CA-C-N 115.061 -0.972 . . . . 25.0 112.353 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -91.42 101.4 14.08 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.04 -1.096 . . . . 25.0 108.04 -178.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -106.84 164.16 12.34 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 113.654 0.983 . . . . 50.0 113.654 -170.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -124.52 123.29 39.79 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 105.074 -2.195 . . . . 25.0 105.074 168.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 62.6 mt -122.37 137.74 54.76 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.772 -0.825 . . . . 25.0 108.772 -176.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -131.62 140.28 49.35 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 105.544 -2.021 . . . . 25.0 105.544 174.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -87.73 -25.99 30.92 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 121.355 -0.45 . . . . 25.0 112.397 -179.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 68.12 -158.3 52.05 Favored Glycine 0 C--O 1.245 0.833 0 N-CA-C 108.48 -1.848 . . . . 25.0 108.48 -172.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.2 176.37 8.14 Favored 'General case' 0 C--O 1.247 0.969 0 CA-C-N 118.325 1.062 . . . . 25.0 109.89 177.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.5 167.84 35.06 Favored Glycine 0 C--O 1.237 0.326 0 N-CA-C 110.17 -1.172 . . . . 25.0 110.17 -176.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -83.79 138.07 33.42 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 107.508 -1.293 . . . . 25.0 107.508 -179.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -139.64 147.84 41.59 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 114.662 1.356 . . . . 50.0 114.662 -173.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.2 mp -102.37 124.39 47.86 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 104.694 -2.336 . . . . 25.0 104.694 170.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 19.0 mt -115.24 107.01 14.72 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 107.744 -1.206 . . . . 25.0 107.744 178.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -105.05 94.22 5.12 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.307 -0.861 . . . . 25.0 109.754 -173.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -57.28 -49.31 73.58 Favored Glycine 0 C--O 1.247 0.968 0 N-CA-C 116.995 1.558 . . . . 25.0 116.995 -172.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.21 179.0 50.1 Favored Glycine 0 CA--C 1.519 0.328 0 O-C-N 122.002 -0.705 . . . . 25.0 112.414 -177.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.57 149.49 13.76 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 122.497 -0.413 . . . . 25.0 110.765 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 95.25 163.87 34.71 Favored Glycine 0 C--O 1.243 0.69 0 N-CA-C 110.49 -1.044 . . . . 25.0 110.49 -176.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.2 ptp85 -89.31 126.6 35.59 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 106.661 -1.607 . . . . 25.0 106.661 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -123.66 160.37 27.31 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.982 -0.554 . . . . 50.0 110.456 -171.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.36 111.89 18.32 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 107.31 -1.367 . . . . 25.0 107.31 178.655 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.9 mp -109.16 135.01 50.99 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.789 0.328 . . . . 25.0 111.311 -172.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 28.4 m -129.5 126.22 38.14 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.312 -0.995 . . . . 25.0 108.312 177.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -82.64 -43.07 7.99 Favored Glycine 0 C--O 1.242 0.607 0 C-N-CA 119.925 -1.131 . . . . 25.0 114.859 -175.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.4 -164.05 54.57 Favored Glycine 0 C--O 1.24 0.47 0 N-CA-C 110.27 -1.132 . . . . 25.0 110.27 -175.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 84.3 mt -66.48 160.27 25.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 122.656 -0.32 . . . . 25.0 110.571 178.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 87.42 174.29 48.53 Favored Glycine 0 C--O 1.238 0.371 0 N-CA-C 110.302 -1.119 . . . . 25.0 110.302 -177.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.75 134.34 33.96 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 107.127 -1.434 . . . . 25.0 107.127 177.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -133.78 142.36 47.86 Favored 'General case' 0 C--N 1.319 -0.719 0 O-C-N 121.718 -0.614 . . . . 50.0 110.832 -175.024 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.9 t -113.86 123.2 49.22 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 122.26 1.029 . . . . 25.0 110.659 173.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -89.59 99.79 12.72 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 103.1 -2.926 . . . . 25.0 103.1 176.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 68.7 ttt-85 -120.05 149.54 42.01 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 113.849 1.055 . . . . 25.0 113.849 -160.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -66.08 156.37 34.06 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.502 -1.226 . . . . 25.0 110.879 173.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -129.85 -27.76 2.28 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.573 -0.899 . . . . 25.0 108.573 168.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 44.5 tp -145.87 156.59 43.65 Favored 'General case' 0 C--O 1.216 -0.675 0 N-CA-C 106.903 -1.518 . . . . 25.0 106.903 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 40.6 ptt180 -62.29 -24.51 67.34 Favored 'General case' 0 C--O 1.214 -0.787 0 CA-C-O 121.307 0.575 . . . . 25.0 112.472 178.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -87.2 11.84 13.14 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.323 0.582 . . . . 25.0 112.324 -177.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.58 -41.25 73.09 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 115.362 1.616 . . . . 25.0 115.362 -176.239 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 34.6 p -148.75 106.61 3.69 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.636 -0.505 . . . . 25.0 109.636 -176.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.507 ' HD2' ' CD1' ' A' ' 128' ' ' PHE . 13.3 t-80 -151.53 172.93 15.24 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.659 0.266 . . . . 25.0 110.313 -174.59 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -104.06 159.05 15.99 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 107.864 -1.161 . . . . 25.0 107.864 174.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 28.0 t -151.85 154.89 33.41 Favored Pre-proline 0 C--N 1.319 -0.752 0 N-CA-C 106.221 -1.77 . . . . 25.0 106.221 178.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -67.33 -14.28 42.27 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 115.843 -2.304 . . . . 25.0 112.139 173.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 76.0 mt -81.87 -0.67 44.68 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 122.751 0.42 . . . . 25.0 111.686 177.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 127.89 171.99 13.13 Favored Glycine 0 C--O 1.226 -0.392 0 N-CA-C 110.472 -1.051 . . . . 25.0 110.472 -178.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 13.7 t -82.06 148.59 28.51 Favored 'General case' 0 C--N 1.321 -0.66 0 O-C-N 121.756 -0.849 . . . . 25.0 109.557 179.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -125.95 23.56 7.18 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 106.273 -1.751 . . . . 25.0 106.273 176.214 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 26.0 p -64.33 139.15 58.74 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.985 -1.007 . . . . 25.0 109.805 178.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -82.29 155.94 24.57 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-O 120.927 0.394 . . . . 50.0 110.188 177.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.1 mp -120.81 129.67 53.66 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.955 -1.021 . . . . 25.0 108.507 179.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 11.6 mt -108.01 146.28 14.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 N-CA-C 105.61 -1.996 . . . . 25.0 105.61 174.259 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -81.13 170.17 16.5 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 106.924 -1.51 . . . . 25.0 106.924 174.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -56.18 138.13 50.56 Favored 'General case' 0 C--O 1.242 0.705 0 N-CA-C 108.079 -1.082 . . . . 25.0 108.079 175.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 25.1 p90 -142.1 -171.48 3.38 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 113.468 0.914 . . . . 25.0 113.468 -174.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -99.36 90.21 1.13 Allowed Pre-proline 0 N--CA 1.474 0.743 0 C-N-CA 123.086 0.554 . . . . 25.0 110.69 -176.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -73.05 1.09 6.94 Favored 'Trans proline' 0 CA--C 1.533 0.458 0 N-CA-C 115.242 1.208 . . . . 25.0 115.242 -174.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 34.4 t -87.51 -9.33 54.81 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 122.324 -0.235 . . . . 25.0 110.663 174.179 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -137.68 -31.94 0.77 Allowed 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 113.685 0.994 . . . . 25.0 113.685 -174.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -85.55 174.68 9.28 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.109 0.481 . . . . 50.0 111.404 -173.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 51.3 tptt -147.95 146.28 28.92 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.918 -0.583 . . . . 25.0 110.774 -169.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 73.4 mt -116.91 112.08 37.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 106.205 -1.776 . . . . 25.0 106.205 172.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -110.4 111.59 22.97 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.343 0.592 . . . . 25.0 109.959 -177.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 15.3 m -125.5 21.45 3.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 CA-C-N 115.377 -0.829 . . . . 25.0 111.709 -176.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.7 t -55.65 -41.83 74.16 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 114.349 1.24 . . . . 25.0 114.349 -175.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -76.2 -3.76 38.1 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 115.424 1.639 . . . . 25.0 115.424 -174.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 25.3 mt -75.54 -43.58 48.01 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 105.413 -2.069 . . . . 25.0 105.413 176.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.636 0 CA-C-N 113.102 -1.863 . . . . 25.0 112.701 176.517 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 15.2 m120 . . . . . 0 CA--C 1.536 0.439 0 CA-C-O 120.703 0.287 . . . . 25.0 110.319 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 81.08 -2.44 81.13 Favored Glycine 0 N--CA 1.46 0.254 0 N-CA-C 117.067 1.587 . . . . 25.0 117.067 177.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -141.09 152.74 45.02 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 117.296 0.548 . . . . 25.0 111.022 -177.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 54.8 48.73 19.47 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 114.039 1.126 . . . . 25.0 114.039 175.259 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 84.98 19.95 58.48 Favored Glycine 0 CA--C 1.51 -0.226 0 C-N-CA 120.391 -0.909 . . . . 25.0 113.528 174.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 30.1 p -128.61 139.91 52.03 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 105.869 -1.901 . . . . 25.0 105.869 179.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 22.2 mt -90.07 163.38 14.91 Favored 'General case' 0 C--O 1.217 -0.654 0 N-CA-C 115.761 1.763 . . . . 25.0 115.761 -171.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -153.46 164.27 38.5 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 106.383 -1.71 . . . . 25.0 106.383 172.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 10.7 p -122.36 152.14 26.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 106.039 -1.837 . . . . 25.0 106.039 177.117 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 47.0 m -146.46 161.75 39.74 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 107.758 -1.201 . . . . 25.0 107.758 178.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 41.1 mt . . . . . 0 C--N 1.322 -0.587 0 N-CA-C 107.907 -1.145 . . . . 25.0 107.907 179.507 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 3.5 mmt85 . . . . . 0 CA--C 1.511 -0.545 0 N-CA-C 108.511 -0.922 . . . . 25.0 108.511 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 6.1 m -127.13 141.62 51.71 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 107.911 -1.144 . . . . 25.0 107.911 177.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -129.04 151.41 49.76 Favored 'General case' 0 C--N 1.32 -0.694 0 O-C-N 121.741 -0.599 . . . . 25.0 110.487 -175.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 86.7 mt -126.99 135.29 50.65 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 106.545 -1.65 . . . . 25.0 106.545 174.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -143.97 136.81 27.25 Favored 'General case' 0 C--O 1.22 -0.469 0 N-CA-C 113.222 0.823 . . . . 25.0 113.222 -174.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.2 t -112.97 -17.21 12.52 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 112.816 0.673 . . . . 25.0 112.816 176.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 10.0 t80 . . . . . 0 N--CA 1.477 0.907 0 N-CA-C 114.451 1.278 . . . . 25.0 114.451 -170.098 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 41.3 t . . . . . 0 CA--C 1.514 -0.437 0 N-CA-C 113.749 1.018 . . . . 25.0 113.749 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.507 ' CD1' ' HD2' ' A' ' 64' ' ' HIS . 65.1 m-85 -70.54 107.29 3.8 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 107.656 -1.239 . . . . 25.0 107.656 170.398 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -136.73 150.51 48.47 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.241 -0.651 . . . . 25.0 109.241 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 5.7 mp -131.46 153.53 49.65 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 107.208 -1.405 . . . . 25.0 107.208 177.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -140.88 103.59 4.52 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 106.628 -1.619 . . . . 25.0 106.628 178.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -117.44 174.04 6.36 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.551 -0.537 . . . . 25.0 109.551 -174.386 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -75.58 -162.92 0.22 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.173 -0.467 . . . . 25.0 110.965 -179.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -76.57 -170.61 31.97 Favored Glycine 0 N--CA 1.452 -0.244 0 N-CA-C 111.406 -0.678 . . . . 25.0 111.406 -178.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -161.26 164.09 30.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 121.973 -0.722 . . . . 25.0 111.523 -178.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 74.9 m80 -78.05 81.74 4.42 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-O 121.097 0.475 . . . . 25.0 109.759 175.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -60.25 -29.3 68.68 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.092 -0.706 . . . . 25.0 109.092 176.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -60.15 -24.57 64.83 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 115.633 -0.712 . . . . 25.0 111.681 176.121 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 51.8 p -122.23 27.94 7.72 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 112.209 0.448 . . . . 25.0 112.209 178.293 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.7 pp -66.88 159.52 28.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.345 0.593 . . . . 25.0 111.687 -177.293 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 83.1 p -140.33 147.52 39.98 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.197 -1.038 . . . . 25.0 108.197 174.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -70.72 -12.75 61.74 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.179 0.514 . . . . 25.0 112.143 -177.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -88.68 9.01 77.76 Favored Glycine 0 C--O 1.225 -0.434 0 N-CA-C 114.373 0.509 . . . . 25.0 114.373 -177.276 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -58.4 -45.6 88.06 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 114.411 1.263 . . . . 25.0 114.411 -175.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 49.1 pt -90.09 161.0 2.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.199 -0.667 . . . . 25.0 109.199 -179.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 10.0 p -58.46 -27.79 34.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 N-CA-C 113.673 0.99 . . . . 25.0 113.673 -176.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 . . . . . 0 C--N 1.326 -0.423 0 N-CA-C 112.671 0.619 . . . . 25.0 112.671 -179.323 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 118.528 -0.749 . . . . 25.0 109.742 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 62.87 177.81 0.15 Allowed 'General case' 0 N--CA 1.477 0.891 0 O-C-N 124.657 1.223 . . . . 25.0 109.676 -172.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -103.75 178.72 25.1 Favored Glycine 0 N--CA 1.451 -0.307 0 N-CA-C 111.643 -0.583 . . . . 25.0 111.643 -178.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.8 t -133.64 -171.49 2.73 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 106.309 -1.737 . . . . 25.0 106.309 179.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -75.49 140.39 42.78 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 108.061 -1.088 . . . . 25.0 108.061 178.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.49 -175.91 19.17 Favored Glycine 0 C--N 1.323 -0.174 0 N-CA-C 107.371 -2.292 . . . . 25.0 107.371 -170.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -89.03 139.27 30.62 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 119.061 1.431 . . . . 25.0 110.345 -176.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -132.94 152.75 51.87 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-O 121.171 0.51 . . . . 50.0 111.513 -178.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 96.0 t -124.57 114.24 39.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 104.189 -2.522 . . . . 25.0 104.189 170.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 67.9 mt -119.31 133.13 55.89 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.294 -0.632 . . . . 25.0 109.294 -173.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 71.5 mt -126.66 123.7 63.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 108.269 -1.012 . . . . 25.0 108.269 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -87.71 156.77 28.06 Favored Glycine 0 N--CA 1.451 -0.328 0 CA-C-O 121.569 0.538 . . . . 25.0 112.705 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 88.4 p -90.0 -179.1 5.62 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 123.805 0.842 . . . . 25.0 110.786 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -63.82 -26.51 68.66 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 115.498 1.666 . . . . 25.0 115.498 -177.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.9 m -79.23 166.1 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.779 -0.452 . . . . 25.0 109.779 -178.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.46 139.15 28.62 Favored Glycine 0 N--CA 1.453 -0.191 0 N-CA-C 109.991 -1.244 . . . . 25.0 109.991 176.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -141.97 160.99 39.1 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 117.304 0.552 . . . . 50.0 111.395 -173.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -117.57 115.62 25.48 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 105.619 -1.993 . . . . 25.0 105.619 173.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 53.2 mt -127.19 124.37 64.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.59 -0.277 . . . . 25.0 110.339 -172.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 69.6 p -115.58 142.56 46.56 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.887 -0.783 . . . . 25.0 108.887 174.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.62 -21.84 35.86 Favored Glycine 0 C--O 1.24 0.497 0 C-N-CA 121.201 -0.523 . . . . 25.0 114.077 -178.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 74.92 -164.7 54.61 Favored Glycine 0 C--O 1.248 1.001 0 O-C-N 122.201 -0.587 . . . . 25.0 111.764 -176.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.9 170.74 13.1 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 121.802 -0.822 . . . . 25.0 108.968 177.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.73 175.66 49.4 Favored Glycine 0 C--O 1.241 0.578 0 CA-C-N 116.435 -0.348 . . . . 25.0 113.453 178.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -85.85 115.12 23.29 Favored 'General case' 0 CA--C 1.512 -0.488 0 N-CA-C 108.78 -0.822 . . . . 25.0 108.78 -178.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -125.66 153.86 43.21 Favored 'General case' 0 C--O 1.241 0.649 0 N-CA-C 113.351 0.871 . . . . 50.0 113.351 -174.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 45.0 ttt85 -113.93 130.58 56.5 Favored 'General case' 0 CA--C 1.509 -0.612 0 N-CA-C 105.504 -2.036 . . . . 25.0 105.504 167.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.2 mp -118.51 133.89 55.51 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 106.66 -1.607 . . . . 25.0 106.66 176.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -125.25 135.3 52.4 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 105.912 -1.884 . . . . 25.0 105.912 177.101 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -103.17 -30.53 5.35 Favored Glycine 0 C--N 1.32 -0.321 0 N-CA-C 114.694 0.638 . . . . 25.0 114.694 -175.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 67.28 -154.93 52.89 Favored Glycine 0 C--O 1.246 0.878 0 C-N-CA 120.408 -0.901 . . . . 25.0 111.604 -176.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.89 175.31 6.68 Favored 'General case' 0 C--O 1.248 0.987 0 O-C-N 122.225 -0.573 . . . . 25.0 109.926 178.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 81.08 161.22 26.1 Favored Glycine 0 C--O 1.241 0.544 0 N-CA-C 111.08 -0.808 . . . . 25.0 111.08 -178.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -84.36 124.02 30.83 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 106.293 -1.743 . . . . 25.0 106.293 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -124.26 151.53 44.08 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 113.246 0.832 . . . . 50.0 113.246 -171.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 mp -111.81 124.93 53.4 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 106.867 -1.531 . . . . 25.0 106.867 175.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.1 mp -124.97 114.89 19.73 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.703 0.631 . . . . 25.0 112.703 -175.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -105.02 116.47 32.0 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 116.028 -0.533 . . . . 25.0 109.821 179.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -66.94 -45.18 85.74 Favored Glycine 0 C--O 1.248 1.001 0 C-N-CA 120.488 -0.863 . . . . 25.0 115.218 -177.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.98 174.57 42.95 Favored Glycine 0 CA--C 1.519 0.294 0 N-CA-C 111.191 -0.764 . . . . 25.0 111.191 -177.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.84 153.85 10.23 Favored 'General case' 0 C--O 1.238 0.448 0 O-C-N 121.962 -0.728 . . . . 25.0 111.541 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 88.46 167.94 43.69 Favored Glycine 0 C--O 1.239 0.451 0 N-CA-C 110.795 -0.922 . . . . 25.0 110.795 -175.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.0 ptp85 -80.98 145.12 31.36 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 107.389 -1.337 . . . . 25.0 107.389 178.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -140.17 162.88 34.18 Favored 'General case' 0 C--N 1.317 -0.844 0 O-C-N 122.029 -0.42 . . . . 50.0 111.53 -175.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -127.61 115.59 19.01 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 106.235 -1.765 . . . . 25.0 106.235 177.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.8 mp -113.47 127.93 56.27 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.636 0.255 . . . . 25.0 111.253 -172.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.51 115.32 23.21 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.355 -0.98 . . . . 25.0 108.355 -179.03 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -80.36 -40.87 12.4 Favored Glycine 0 N--CA 1.462 0.41 0 C-N-CA 120.288 -0.958 . . . . 25.0 115.377 -175.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.66 -166.79 54.86 Favored Glycine 0 C--O 1.242 0.632 0 C-N-CA 120.775 -0.726 . . . . 25.0 111.505 -175.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 74.4 mt -62.34 157.91 18.68 Favored 'General case' 0 C--O 1.241 0.629 0 C-N-CA 122.618 0.367 . . . . 25.0 111.242 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 91.25 168.59 41.68 Favored Glycine 0 C--O 1.244 0.729 0 N-CA-C 110.725 -0.95 . . . . 25.0 110.725 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.69 125.34 31.77 Favored 'General case' 0 C--O 1.217 -0.619 0 N-CA-C 106.028 -1.842 . . . . 25.0 106.028 177.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -124.64 146.93 48.83 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 109.4 -0.592 . . . . 50.0 109.4 -175.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.6 t -119.59 133.23 55.75 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 108.361 -0.978 . . . . 25.0 108.361 177.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -113.67 124.22 51.78 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 106.22 -1.77 . . . . 25.0 106.22 -178.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 40.0 ttt85 -131.35 152.84 50.23 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 113.717 1.006 . . . . 25.0 113.717 -171.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 28.7 p90 -70.26 155.79 40.16 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.166 -1.379 . . . . 25.0 107.864 167.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -122.68 -19.21 6.34 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 108.973 -0.751 . . . . 25.0 108.973 169.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -129.03 164.01 24.15 Favored 'General case' 0 C--O 1.221 -0.432 0 N-CA-C 107.7 -1.222 . . . . 25.0 107.7 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 37.4 ptt180 -75.31 -16.62 60.4 Favored 'General case' 0 C--O 1.21 -1.013 0 CA-C-O 121.542 0.687 . . . . 25.0 109.991 173.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -106.73 13.35 28.12 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.604 0.716 . . . . 25.0 110.195 -176.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -57.24 -33.07 67.2 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 115.058 1.503 . . . . 25.0 115.058 -173.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 36.8 p -145.82 97.85 3.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.793 0.33 . . . . 25.0 111.228 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -142.07 166.65 24.11 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.933 -0.395 . . . . 25.0 109.933 177.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -132.67 153.03 51.5 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 107.479 -1.304 . . . . 25.0 107.479 178.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 94.5 p -155.59 169.13 10.86 Favored Pre-proline 0 C--N 1.318 -0.761 0 N-CA-C 106.237 -1.764 . . . . 25.0 106.237 -175.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -69.9 -10.63 28.9 Favored 'Trans proline' 0 CA--C 1.538 0.676 0 C-N-CA 116.12 -2.12 . . . . 25.0 112.852 175.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 70.0 mt -79.85 -6.09 56.71 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 120.994 0.426 . . . . 25.0 110.509 177.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 135.65 169.86 11.94 Favored Glycine 0 N--CA 1.45 -0.373 0 CA-C-O 121.799 0.666 . . . . 25.0 112.641 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.1 t -95.86 138.29 33.71 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.594 -0.891 . . . . 25.0 108.594 177.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -131.13 20.45 4.88 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 106.901 -1.518 . . . . 25.0 106.901 178.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 85.1 p -78.11 158.95 28.93 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 115.531 -0.759 . . . . 25.0 110.589 -178.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -98.52 155.49 17.25 Favored 'General case' 0 C--O 1.241 0.637 0 CA-C-O 120.913 0.387 . . . . 50.0 110.692 178.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.4 mp -124.34 135.56 53.42 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 106.674 -1.602 . . . . 25.0 106.674 177.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 56.6 mt -107.93 145.04 15.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 N-CA-C 103.289 -2.856 . . . . 25.0 103.289 175.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 83.1 mt -110.61 136.69 49.33 Favored 'General case' 0 C--N 1.318 -0.782 0 O-C-N 123.851 0.719 . . . . 25.0 111.36 -172.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 65.78 -60.24 0.29 Allowed 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 126.316 1.847 . . . . 25.0 114.894 176.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 28.2 t80 59.2 131.48 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 117.484 2.402 . . . . 25.0 117.484 173.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -102.12 96.06 6.48 Favored Pre-proline 0 N--CA 1.473 0.713 0 O-C-N 121.29 -0.881 . . . . 25.0 109.43 176.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -68.94 -10.93 30.53 Favored 'Trans proline' 0 C--N 1.348 0.5 0 N-CA-C 115.135 1.167 . . . . 25.0 115.135 -176.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 41.0 t -79.38 -14.46 58.95 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 121.82 -0.55 . . . . 25.0 112.318 176.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -137.95 -33.29 0.71 Allowed 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 115.544 1.683 . . . . 25.0 115.544 -170.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -85.8 158.53 19.96 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 113.788 1.032 . . . . 50.0 113.788 -169.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 45.3 tptt -129.12 144.37 51.18 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.382 0.673 . . . . 25.0 111.478 -176.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 51.5 mt -127.08 127.01 69.15 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 N-CA-C 107.603 -1.258 . . . . 25.0 107.603 177.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -111.0 131.77 54.77 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.498 -0.556 . . . . 25.0 109.498 178.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 26.9 m -131.8 11.04 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 CA-C-O 121.639 0.733 . . . . 25.0 111.913 -176.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.66 -29.68 62.55 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 117.41 2.374 . . . . 25.0 117.41 -172.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -76.92 -10.94 59.71 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 113.786 1.032 . . . . 25.0 113.786 -178.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 21.8 mt -85.45 -43.71 13.37 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 106.134 -1.802 . . . . 25.0 106.134 179.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 81.19 144.17 4.05 Favored Glycine 0 C--O 1.221 -0.68 0 CA-C-N 114.272 -1.331 . . . . 25.0 112.356 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -149.52 138.15 20.92 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 106.978 -1.49 . . . . 25.0 106.978 178.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 8.4 tp -86.87 -11.61 11.0 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 CA-C-O 121.413 0.625 . . . . 25.0 110.783 -176.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -159.3 167.98 35.14 Favored Glycine 0 C--O 1.225 -0.465 0 N-CA-C 111.104 -0.798 . . . . 25.0 111.104 177.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 83.6 mt -122.62 3.37 9.58 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 114.098 1.148 . . . . 25.0 114.098 -174.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -146.06 58.32 0.5 Allowed Glycine 0 CA--C 1.519 0.324 0 N-CA-C 117.152 1.621 . . . . 25.0 117.152 -173.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -156.86 -47.96 0.07 Allowed 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 117.609 0.705 . . . . 25.0 112.135 175.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 100.66 1.0 55.33 Favored Glycine 0 C--O 1.236 0.25 0 N-CA-C 116.279 1.271 . . . . 25.0 116.279 171.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -133.08 158.82 41.82 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.676 0.238 . . . . 25.0 110.384 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 53.73 43.53 30.92 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 113.236 0.828 . . . . 25.0 113.236 176.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 87.03 3.47 82.78 Favored Glycine 0 C--O 1.236 0.221 0 C-N-CA 120.973 -0.632 . . . . 25.0 114.101 173.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 72.1 p -100.28 141.45 33.11 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 106.96 -1.496 . . . . 25.0 106.96 176.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 13.5 mt -82.58 160.65 22.49 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 121.841 -0.537 . . . . 25.0 111.906 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -154.37 167.66 29.23 Favored 'General case' 0 C--O 1.242 0.678 0 N-CA-C 104.841 -2.281 . . . . 25.0 104.841 166.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 10.7 p -116.99 149.44 19.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 107.416 -1.328 . . . . 25.0 107.416 177.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 24.8 m -140.94 161.98 36.56 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 107.326 -1.361 . . . . 25.0 107.326 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 77.6 mt -130.42 160.65 33.4 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.152 -1.055 . . . . 25.0 108.152 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 29.6 p -78.74 167.46 21.17 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 106.857 -1.534 . . . . 25.0 106.857 171.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.18 -14.2 60.03 Favored 'General case' 0 C--O 1.218 -0.568 0 N-CA-C 113.709 1.003 . . . . 25.0 113.709 -177.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 18.5 p30 -112.91 2.29 15.8 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.282 -0.636 . . . . 25.0 109.282 -177.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 70.58 2.59 44.35 Favored Glycine 0 C--O 1.227 -0.282 0 N-CA-C 114.377 0.511 . . . . 25.0 114.377 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 91.9 mt -81.15 -9.64 59.77 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 113.361 0.875 . . . . 25.0 113.361 -174.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -136.17 151.28 49.57 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.064 -1.087 . . . . 25.0 108.064 177.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 26.1 m -133.67 146.66 51.07 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 106.758 -1.571 . . . . 25.0 106.758 -176.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -133.81 148.67 51.36 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.508 -0.552 . . . . 25.0 109.508 -177.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 8.1 mp -120.75 120.31 35.28 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 103.794 -2.669 . . . . 25.0 103.794 174.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -128.86 154.6 46.32 Favored 'General case' 0 CA--C 1.507 -0.704 0 O-C-N 123.115 0.259 . . . . 25.0 111.117 -174.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 90.6 p -140.47 -19.46 0.86 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 116.159 1.911 . . . . 25.0 116.159 -177.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 16.4 t80 42.45 45.84 3.93 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-O 121.477 0.656 . . . . 25.0 111.868 -172.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -65.68 141.98 58.18 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-O 121.308 0.575 . . . . 25.0 110.881 -178.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -153.13 36.62 0.48 Allowed 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 114.725 -1.125 . . . . 25.0 108.511 178.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -50.12 -40.0 44.79 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 112.903 0.705 . . . . 25.0 112.903 -176.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -155.1 -39.1 0.09 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.525 0.565 . . . . 25.0 112.525 176.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -97.07 -4.93 38.63 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 114.335 1.235 . . . . 25.0 114.335 -174.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 64.93 37.49 94.35 Favored Glycine 0 N--CA 1.461 0.327 0 C-N-CA 120.543 -0.837 . . . . 25.0 112.288 -178.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 24.9 mmt85 -117.67 109.65 16.91 Favored 'General case' 0 C--O 1.215 -0.713 0 N-CA-C 109.083 -0.71 . . . . 25.0 109.083 -179.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 15.4 m -78.38 132.9 37.55 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.391 -0.368 . . . . 25.0 111.504 -176.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -99.31 106.08 18.15 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.85 -0.796 . . . . 25.0 108.85 177.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -133.09 154.55 50.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.166 -0.47 . . . . 25.0 110.156 -172.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.5 mp -134.7 168.01 19.79 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 109.243 -0.651 . . . . 25.0 109.243 -179.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -144.04 157.51 44.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.972 0.415 . . . . 25.0 110.609 176.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 41.1 mt -131.97 122.01 24.86 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 105.442 -2.058 . . . . 25.0 105.442 176.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -113.22 131.36 55.93 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 108.397 -0.964 . . . . 25.0 108.397 -178.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 83.25 8.2 85.65 Favored Glycine 0 C--O 1.221 -0.712 0 N-CA-C 110.739 -0.944 . . . . 25.0 110.739 -177.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -57.35 137.92 55.5 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.369 0.877 . . . . 25.0 113.369 -174.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 80.5 m80 -76.91 68.19 3.05 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.9 0.857 . . . . 25.0 109.829 171.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -62.76 -27.41 69.27 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.111 -0.95 . . . . 25.0 109.927 179.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.22 -26.56 67.82 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.825 -0.625 . . . . 25.0 111.855 177.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 46.4 p -124.25 21.09 8.85 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 112.782 0.66 . . . . 25.0 112.782 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.8 pp -64.2 149.36 48.05 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 122.064 -0.397 . . . . 25.0 110.998 -177.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 75.1 m -141.32 150.18 42.16 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.087 0.47 . . . . 25.0 110.111 178.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.91 -8.94 48.87 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 113.151 0.797 . . . . 25.0 113.151 -177.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -67.5 -22.74 73.38 Favored Glycine 0 CA--C 1.52 0.355 0 C-N-CA 121.027 -0.606 . . . . 25.0 112.895 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -66.26 -27.84 68.26 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 114.853 1.427 . . . . 25.0 114.853 -176.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 43.3 pt -92.0 154.33 3.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 O-C-N 121.838 -0.539 . . . . 25.0 111.092 -176.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 11.0 p -57.92 -31.74 41.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 N-CA-C 113.015 0.746 . . . . 25.0 113.015 -176.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -71.57 -36.34 70.87 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 122.132 -0.355 . . . . 25.0 111.441 -177.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . 49.67 -157.12 0.09 Allowed 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.835 0.854 . . . . 25.0 112.246 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . 52.77 10.69 0.16 Allowed 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 118.678 2.844 . . . . 25.0 118.678 172.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -76.03 92.29 3.16 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 118.75 0.705 . . . . 25.0 110.706 -179.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 9.4 t -72.65 147.29 89.26 Favored Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 109.051 -0.722 . . . . 25.0 109.051 177.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -68.87 152.8 73.62 Favored 'Trans proline' 0 C--O 1.24 0.605 0 C-N-CA 115.219 -2.721 . . . . 25.0 110.711 174.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.41 0 N-CA-C 105.451 -3.06 . . . . 25.0 105.451 -179.942 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 206' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.513 0 CA-C-O 118.271 -0.871 . . . . 25.0 109.58 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 50.02 -172.26 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.934 0 O-C-N 124.862 1.351 . . . . 25.0 113.23 -173.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -96.23 171.21 28.0 Favored Glycine 0 N--CA 1.452 -0.279 0 CA-C-O 121.904 0.724 . . . . 25.0 114.272 -175.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.5 t -140.6 -163.43 1.53 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 105.208 -2.145 . . . . 25.0 105.208 178.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -69.16 155.46 40.35 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 119.191 0.905 . . . . 25.0 109.182 176.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 92.04 -177.91 40.16 Favored Glycine 0 C--O 1.235 0.17 0 N-CA-C 109.487 -1.445 . . . . 25.0 109.487 -173.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -93.64 127.63 39.41 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 117.75 0.775 . . . . 25.0 109.812 -175.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -119.64 153.25 35.8 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 120.695 0.283 . . . . 50.0 110.722 -178.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 65.6 t -123.65 111.21 28.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 104.941 -2.244 . . . . 25.0 104.941 171.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 49.7 mt -115.7 135.0 54.48 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.741 -0.837 . . . . 25.0 108.741 -173.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 46.4 mm -125.29 136.95 59.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 105.498 -2.038 . . . . 25.0 105.498 -176.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -90.18 178.65 43.44 Favored Glycine 0 N--CA 1.452 -0.241 0 CA-C-O 121.708 0.616 . . . . 25.0 113.417 -177.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 98.2 p -126.31 178.16 6.0 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.034 -0.728 . . . . 25.0 109.034 179.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -59.79 -41.34 90.95 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 114.474 1.287 . . . . 25.0 114.474 -176.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.4 m -71.04 164.88 3.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.874 0.368 . . . . 25.0 111.615 -177.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -69.67 139.27 31.38 Favored Glycine 0 CA--C 1.517 0.211 0 N-CA-C 110.926 -0.87 . . . . 25.0 110.926 177.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -139.67 164.35 30.16 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.282 0.563 . . . . 50.0 112.007 -173.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -129.79 113.99 15.38 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 105.511 -2.033 . . . . 25.0 105.511 175.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 55.8 mt -132.78 124.85 51.54 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 CA-C-O 120.763 0.316 . . . . 25.0 110.933 -172.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 91.0 p -113.71 146.74 39.37 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.633 -0.506 . . . . 25.0 109.633 174.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -91.95 -22.48 30.36 Favored Glycine 0 C--O 1.238 0.398 0 C-N-CA 120.869 -0.681 . . . . 25.0 114.277 -178.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.9 -159.38 53.57 Favored Glycine 0 C--O 1.245 0.797 0 C-N-CA 120.91 -0.662 . . . . 25.0 112.095 -177.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.88 172.09 10.55 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 109.073 -0.714 . . . . 25.0 109.073 178.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.76 171.81 48.53 Favored Glycine 0 C--O 1.242 0.619 0 CA-C-N 116.283 -0.417 . . . . 25.0 112.174 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -90.55 112.82 24.65 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 107.128 -1.434 . . . . 25.0 107.128 -178.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -118.67 157.58 27.16 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 113.96 1.096 . . . . 50.0 113.96 -172.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.7 mtp180 -112.94 133.91 54.69 Favored 'General case' 0 CA--C 1.505 -0.753 0 N-CA-C 105.184 -2.154 . . . . 25.0 105.184 168.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.4 mp -129.71 148.73 51.62 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 107.11 -1.441 . . . . 25.0 107.11 178.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -146.11 144.6 30.1 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 105.651 -1.981 . . . . 25.0 105.651 175.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -105.46 -21.29 8.88 Favored Glycine 0 N--CA 1.451 -0.321 0 O-C-N 123.516 0.51 . . . . 25.0 112.053 -178.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 66.37 -153.86 52.02 Favored Glycine 0 C--O 1.242 0.635 0 N-CA-C 111.021 -0.832 . . . . 25.0 111.021 -175.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.32 175.72 7.38 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 122.221 -0.576 . . . . 25.0 109.964 178.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 76.85 166.77 25.54 Favored Glycine 0 C--O 1.238 0.378 0 N-CA-C 111.447 -0.661 . . . . 25.0 111.447 -177.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -83.27 135.48 34.74 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 106.886 -1.524 . . . . 25.0 106.886 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -135.96 153.41 51.41 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 113.331 0.863 . . . . 50.0 113.331 -173.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.0 mp -111.27 125.81 54.22 Favored 'General case' 0 C--O 1.239 0.548 0 N-CA-C 106.651 -1.611 . . . . 25.0 106.651 176.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.6 mp -130.37 124.68 32.76 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 112.333 0.494 . . . . 25.0 112.333 -176.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -116.32 128.78 55.85 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-O 121.144 0.497 . . . . 25.0 110.404 178.465 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -80.4 -43.64 9.28 Favored Glycine 0 C--O 1.248 0.999 0 N-CA-C 115.998 1.159 . . . . 25.0 115.998 -175.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.03 -174.7 54.38 Favored Glycine 0 C--O 1.247 0.944 0 N-CA-C 111.403 -0.679 . . . . 25.0 111.403 -177.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.48 162.6 10.01 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 122.406 -0.467 . . . . 25.0 110.399 177.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.19 174.88 46.48 Favored Glycine 0 N--CA 1.461 0.323 0 N-CA-C 110.364 -1.094 . . . . 25.0 110.364 -177.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.7 ptp85 -100.83 124.29 46.27 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 106.935 -1.505 . . . . 25.0 106.935 179.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -123.56 158.62 30.99 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.14 -0.482 . . . . 50.0 112.206 -168.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -124.63 112.62 17.0 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 106.841 -1.54 . . . . 25.0 106.841 175.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.7 mp -110.98 137.54 48.49 Favored 'General case' 0 C--O 1.209 -1.034 0 N-CA-C 108.638 -0.875 . . . . 25.0 108.638 -175.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.2 m -124.18 125.44 44.45 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 107.502 -1.295 . . . . 25.0 107.502 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -84.94 -40.56 8.03 Favored Glycine 0 C--O 1.239 0.407 0 C-N-CA 119.608 -1.282 . . . . 25.0 113.561 -176.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.0 -165.17 54.8 Favored Glycine 0 C--O 1.243 0.659 0 N-CA-C 110.45 -1.06 . . . . 25.0 110.45 -176.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 89.5 mt -63.35 157.52 22.83 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 122.472 -0.428 . . . . 25.0 110.523 178.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 90.51 170.99 43.76 Favored Glycine 0 C--O 1.248 0.993 0 CA-C-N 115.548 -0.751 . . . . 25.0 111.543 -178.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.89 124.6 32.55 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 107.008 -1.478 . . . . 25.0 107.008 178.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -121.33 139.78 52.97 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.509 -0.552 . . . . 50.0 109.509 -175.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.2 t -116.17 130.13 56.65 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.303 -0.999 . . . . 25.0 108.303 178.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -110.8 128.15 55.65 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 106.144 -1.798 . . . . 25.0 106.144 -177.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 56.5 ttt-85 -127.75 146.16 50.67 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.442 0.639 . . . . 25.0 112.142 -171.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -71.87 148.59 45.99 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.662 -0.866 . . . . 25.0 108.662 170.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -98.79 -38.21 9.15 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 106.003 -1.851 . . . . 25.0 106.003 168.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 52.7 tp -140.76 158.67 43.63 Favored 'General case' 0 C--O 1.221 -0.43 0 N-CA-C 105.632 -1.988 . . . . 25.0 105.632 175.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 40.8 ptt180 -60.7 -23.76 65.13 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 121.456 0.646 . . . . 25.0 111.968 178.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -80.6 2.11 26.99 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 122.118 -0.364 . . . . 25.0 111.653 -177.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -60.19 -31.67 70.36 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 111.888 0.329 . . . . 25.0 111.888 178.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 57.2 p -139.73 91.16 2.45 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.385 0.612 . . . . 25.0 112.042 -177.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 36.6 p-80 -148.12 163.71 36.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 122.14 -0.35 . . . . 25.0 110.785 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 10.9 mtm180 -133.55 160.3 37.87 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.081 -0.711 . . . . 25.0 109.081 177.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 96.4 p -152.15 166.5 15.16 Favored Pre-proline 0 C--N 1.32 -0.695 0 N-CA-C 106.469 -1.678 . . . . 25.0 106.469 -177.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -70.31 -9.67 26.42 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 115.901 -2.266 . . . . 25.0 112.726 175.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 68.3 mt -86.12 -5.83 59.13 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 122.65 0.38 . . . . 25.0 110.812 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 142.77 169.61 12.4 Favored Glycine 0 C--O 1.236 0.278 0 CA-C-O 121.859 0.7 . . . . 25.0 113.021 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.5 t -100.22 143.64 30.17 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.742 -0.466 . . . . 25.0 109.742 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -134.8 19.11 3.52 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 105.775 -1.935 . . . . 25.0 105.775 175.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 41.8 t -75.4 157.2 34.53 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.634 -1.166 . . . . 25.0 108.82 -179.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -109.07 151.35 26.5 Favored 'General case' 0 CA--C 1.503 -0.858 0 CA-C-O 121.372 0.606 . . . . 50.0 110.377 -179.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.5 mp -118.7 135.26 54.58 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 105.842 -1.91 . . . . 25.0 105.842 -179.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 41.2 mt -107.98 137.11 41.03 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.726 0 N-CA-C 103.702 -2.703 . . . . 25.0 103.702 172.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 60.5 mt -108.26 144.08 36.23 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 115.151 -0.932 . . . . 25.0 109.122 -173.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 54.98 47.06 23.0 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 124.478 1.111 . . . . 25.0 109.529 176.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -70.79 130.0 40.55 Favored 'General case' 0 C--O 1.241 0.652 0 CA-C-N 114.792 -1.095 . . . . 25.0 113.472 -174.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -97.3 99.61 6.5 Favored Pre-proline 0 N--CA 1.469 0.497 0 CA-C-N 115.647 -0.706 . . . . 25.0 110.384 176.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -69.84 -11.24 30.33 Favored 'Trans proline' 0 CA--C 1.534 0.51 0 C-N-CA 116.463 -1.892 . . . . 25.0 113.505 178.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.5 t -84.64 -9.08 58.6 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 116.335 -0.393 . . . . 25.0 111.808 178.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -139.66 -34.27 0.57 Allowed 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 115.208 1.559 . . . . 25.0 115.208 -172.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -95.3 150.95 19.69 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.681 0.623 . . . . 50.0 112.681 -168.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 42.3 tptt -133.68 150.7 51.54 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.947 -0.57 . . . . 25.0 110.494 -174.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 15.0 mt -126.98 121.73 58.71 Favored 'Isoleucine or valine' 0 C--O 1.242 0.663 0 CA-C-O 121.314 0.578 . . . . 25.0 111.599 -179.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.45 119.52 25.23 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.278 -1.378 . . . . 25.0 107.278 176.011 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 31.0 m -132.67 17.71 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 CA-C-O 121.451 0.644 . . . . 25.0 111.876 -176.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.9 t -57.23 -36.97 71.56 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 114.194 1.183 . . . . 25.0 114.194 -174.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.51 -17.36 64.15 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 115.24 1.57 . . . . 25.0 115.24 -176.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 30.1 mt -71.17 -45.6 63.14 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 106.706 -1.59 . . . . 25.0 106.706 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 81.72 143.01 3.96 Favored Glycine 0 C--O 1.225 -0.459 0 CA-C-N 113.484 -1.689 . . . . 25.0 112.262 179.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -142.85 140.69 31.37 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.17 -1.048 . . . . 25.0 108.17 179.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 13.6 tt -92.76 -9.99 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.394 0.616 . . . . 25.0 110.876 -176.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -153.38 169.47 32.17 Favored Glycine 0 C--O 1.226 -0.383 0 C-N-CA 121.01 -0.614 . . . . 25.0 112.211 -178.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 83.1 mt -68.92 -18.53 64.12 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 114.946 1.462 . . . . 25.0 114.946 -173.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 141.0 98.58 0.35 Allowed Glycine 0 C--O 1.224 -0.508 0 N-CA-C 115.606 1.003 . . . . 25.0 115.606 -179.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -131.39 -4.77 3.79 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 110.086 -0.339 . . . . 25.0 110.086 175.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 79.24 3.58 88.53 Favored Glycine 0 C--O 1.236 0.229 0 N-CA-C 116.439 1.336 . . . . 25.0 116.439 179.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -137.91 150.48 47.12 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 117.257 0.528 . . . . 25.0 111.341 -177.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 53.34 44.95 29.4 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 114.176 1.176 . . . . 25.0 114.176 173.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.06 32.09 21.53 Favored Glycine 0 N--CA 1.454 -0.121 0 C-N-CA 120.418 -0.896 . . . . 25.0 113.461 176.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 59.7 p -135.49 146.56 48.27 Favored 'General case' 0 C--O 1.218 -0.565 0 N-CA-C 105.787 -1.931 . . . . 25.0 105.787 177.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 61.7 mt -86.34 153.76 21.71 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 116.528 2.047 . . . . 25.0 116.528 -172.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -136.06 159.6 41.2 Favored 'General case' 0 C--O 1.241 0.642 0 N-CA-C 104.164 -2.532 . . . . 25.0 104.164 167.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 11.2 p -124.23 153.28 30.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 107.883 -1.154 . . . . 25.0 107.883 -178.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 44.7 m -144.53 157.02 44.42 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 107.539 -1.282 . . . . 25.0 107.539 176.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 57.5 mt -130.25 162.13 29.64 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.437 -0.579 . . . . 25.0 109.437 -178.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 87.8 p -79.5 172.02 14.36 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 106.788 -1.56 . . . . 25.0 106.788 170.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -54.67 -34.51 62.37 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 114.582 1.327 . . . . 25.0 114.582 -176.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -104.25 7.63 35.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.274 0.559 . . . . 25.0 110.753 -176.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 71.33 5.81 60.22 Favored Glycine 0 C--O 1.225 -0.462 0 CA-C-N 116.222 -0.444 . . . . 25.0 113.835 -177.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 96.4 mt -76.56 -9.13 58.44 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 113.883 1.068 . . . . 25.0 113.883 -175.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 89.9 mtt-85 -139.49 148.64 42.95 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 106.245 -1.761 . . . . 25.0 106.245 178.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 15.2 m -133.95 148.45 51.17 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.224 -0.658 . . . . 25.0 109.224 -176.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -135.32 147.65 49.22 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.526 -0.546 . . . . 25.0 109.526 -178.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 68.0 mt -128.29 137.08 51.81 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.307 -0.627 . . . . 25.0 109.307 179.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.4 tmtp? -135.41 127.72 30.21 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-O 119.082 -0.485 . . . . 25.0 110.463 -177.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 20.4 t -100.56 -28.81 12.68 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 112.912 0.708 . . . . 25.0 112.912 178.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 30.6 t80 51.09 52.39 15.05 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-O 122.256 1.027 . . . . 25.0 111.116 -179.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -67.44 150.84 48.37 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.503 -1.226 . . . . 25.0 108.353 178.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -134.97 14.13 3.6 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.838 0.827 . . . . 25.0 111.191 -176.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -66.95 -32.34 73.52 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 114.263 -1.335 . . . . 25.0 111.691 -175.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -142.23 99.96 3.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.761 -0.654 . . . . 25.0 110.693 -179.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 52.0 28.65 5.44 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 114.247 1.202 . . . . 25.0 114.247 175.375 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 63.89 22.83 66.92 Favored Glycine 0 CA--C 1.521 0.418 0 N-CA-C 114.771 0.669 . . . . 25.0 114.771 178.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 26.0 mmt85 -78.74 145.12 34.63 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 104.234 -2.506 . . . . 25.0 104.234 176.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 35.7 t -134.72 146.86 49.84 Favored 'General case' 0 CA--C 1.513 -0.459 0 N-CA-C 115.007 1.484 . . . . 25.0 115.007 -174.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -82.36 126.53 32.28 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 107.287 -1.375 . . . . 25.0 107.287 173.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -145.35 147.97 32.87 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 107.819 -1.178 . . . . 25.0 107.819 -174.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 6.9 mt -136.2 163.06 31.25 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 122.691 0.396 . . . . 25.0 110.085 -176.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -144.82 152.71 40.72 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 109.562 -0.533 . . . . 25.0 109.562 177.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 78.1 mt -132.81 144.64 50.37 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 106.592 -1.632 . . . . 25.0 106.592 177.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -129.06 155.54 45.26 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 107.407 -1.331 . . . . 25.0 107.407 177.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 72.21 28.64 67.78 Favored Glycine 0 CA--C 1.509 -0.337 0 N-CA-C 111.456 -0.658 . . . . 25.0 111.456 176.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 29.1 m120 -69.59 142.85 53.46 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.499 0.666 . . . . 25.0 111.593 -177.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 65.2 m80 -75.64 92.08 2.92 Favored 'General case' 0 C--O 1.214 -0.771 0 N-CA-C 107.135 -1.432 . . . . 25.0 107.135 170.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -60.86 -31.27 70.73 Favored 'General case' 0 C--O 1.22 -0.496 0 N-CA-C 109.212 -0.662 . . . . 25.0 109.212 177.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.91 -28.82 69.79 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.216 -0.902 . . . . 25.0 111.875 178.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 64.1 p -130.51 30.28 4.72 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 113.138 0.792 . . . . 25.0 113.138 -178.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.0 pp -62.68 147.74 48.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.377 0.608 . . . . 25.0 111.42 -175.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 43.9 t -155.47 154.08 31.29 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.399 -0.963 . . . . 25.0 108.399 -177.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -94.1 -7.27 42.98 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-O 121.118 0.485 . . . . 25.0 111.164 178.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -80.05 14.51 20.4 Favored Glycine 0 CA--C 1.522 0.481 0 N-CA-C 115.89 1.116 . . . . 25.0 115.89 -174.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 57.0 m-20 -68.07 -25.48 65.37 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 113.219 0.822 . . . . 25.0 113.219 -176.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 48.5 pt -83.04 158.26 3.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 121.968 -0.457 . . . . 25.0 111.281 -177.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 10.4 p -58.7 -33.23 48.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 113.732 1.012 . . . . 25.0 113.732 -177.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -70.95 -34.47 71.48 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 122.044 -0.41 . . . . 25.0 111.472 -179.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . 50.26 -159.42 0.08 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.763 0.825 . . . . 25.0 111.787 -177.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . 56.79 1.02 0.08 Allowed 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 117.477 2.399 . . . . 25.0 117.477 176.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -65.89 142.62 57.84 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.752 -0.462 . . . . 25.0 109.752 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 7.3 t -69.07 146.82 97.44 Favored Pre-proline 0 C--N 1.322 -0.627 0 N-CA-C 107.03 -1.47 . . . . 25.0 107.03 178.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -73.53 175.01 11.25 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 116.916 -1.589 . . . . 25.0 111.999 178.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.452 0 N-CA-C 105.814 -2.914 . . . . 25.0 105.814 177.62 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 206' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 118.358 -0.829 . . . . 25.0 109.397 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 22.1 pt20 47.35 -162.71 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.911 0 O-C-N 124.676 1.235 . . . . 25.0 111.535 -172.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -90.2 162.38 29.63 Favored Glycine 0 N--CA 1.449 -0.483 0 CA-C-O 121.939 0.744 . . . . 25.0 113.849 -174.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.1 t -136.52 -170.51 2.69 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 105.422 -2.066 . . . . 25.0 105.422 178.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -70.64 145.87 50.37 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 121.218 -0.926 . . . . 25.0 109.252 177.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 101.27 -176.35 26.62 Favored Glycine 0 C--N 1.323 -0.185 0 N-CA-C 109.615 -1.394 . . . . 25.0 109.615 -172.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 62.3 m-20 -90.8 131.08 36.67 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 118.318 1.059 . . . . 25.0 110.082 -175.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -124.53 154.02 41.22 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.173 0.511 . . . . 50.0 111.421 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 93.5 t -125.54 114.24 38.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 104.554 -2.387 . . . . 25.0 104.554 171.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 44.5 mt -122.26 138.43 54.5 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.756 -0.831 . . . . 25.0 108.756 -173.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 39.8 mm -128.14 130.86 69.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 107.668 -1.234 . . . . 25.0 107.668 -177.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -90.56 175.39 40.6 Favored Glycine 0 C--O 1.229 -0.171 0 CA-C-O 121.774 0.652 . . . . 25.0 113.099 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 91.0 p -122.62 -179.53 4.25 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 123.415 0.686 . . . . 25.0 109.793 -179.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -67.15 -27.09 67.01 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 115.421 1.638 . . . . 25.0 115.421 -176.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.7 m -76.06 165.97 2.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 C-N-CA 120.916 -0.314 . . . . 25.0 110.388 -179.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.1 137.55 28.31 Favored Glycine 0 C--O 1.234 0.122 0 N-CA-C 110.393 -1.083 . . . . 25.0 110.393 176.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -140.64 166.67 24.12 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.427 0.632 . . . . 50.0 111.999 -174.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -132.11 116.99 17.74 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 105.016 -2.216 . . . . 25.0 105.016 175.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.3 mt -135.56 116.57 19.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.132 0.491 . . . . 25.0 110.646 -173.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 98.6 p -107.4 147.46 30.36 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.661 -0.866 . . . . 25.0 108.661 175.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -94.75 -23.26 21.39 Favored Glycine 0 N--CA 1.458 0.148 0 C-N-CA 121.083 -0.58 . . . . 25.0 114.101 -178.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.94 -160.47 54.06 Favored Glycine 0 C--O 1.243 0.7 0 C-N-CA 120.891 -0.671 . . . . 25.0 111.601 -177.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.86 173.93 8.48 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 121.921 -0.752 . . . . 25.0 109.449 178.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.74 170.95 47.17 Favored Glycine 0 C--O 1.241 0.565 0 CA-C-N 116.582 -0.281 . . . . 25.0 113.512 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -84.55 113.09 20.99 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.54 -0.911 . . . . 25.0 108.54 -178.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -118.41 160.68 21.27 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 113.88 1.067 . . . . 50.0 113.88 -174.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -123.41 127.45 48.45 Favored 'General case' 0 CA--C 1.51 -0.594 0 N-CA-C 104.105 -2.554 . . . . 25.0 104.105 170.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.3 mp -127.93 146.44 50.64 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 106.795 -1.557 . . . . 25.0 106.795 -178.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -140.99 141.06 34.43 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 105.043 -2.206 . . . . 25.0 105.043 175.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -103.36 -23.28 8.53 Favored Glycine 0 N--CA 1.447 -0.591 0 N-CA-C 111.899 -0.48 . . . . 25.0 111.899 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 65.84 -158.14 47.64 Favored Glycine 0 C--O 1.24 0.522 0 C-N-CA 120.652 -0.785 . . . . 25.0 111.517 -175.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.69 173.51 8.92 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.968 -0.725 . . . . 25.0 110.049 178.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.92 166.64 36.05 Favored Glycine 0 C--O 1.237 0.34 0 CA-C-N 115.892 -0.595 . . . . 25.0 112.045 -178.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -81.79 130.15 34.97 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 107.062 -1.459 . . . . 25.0 107.062 -178.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -134.19 152.44 51.83 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 113.794 1.035 . . . . 50.0 113.794 -173.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.8 mp -112.63 118.3 34.67 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.183 -1.414 . . . . 25.0 107.183 176.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.6 mp -125.21 124.87 42.66 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 112.52 0.563 . . . . 25.0 112.52 -175.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -116.7 124.82 50.62 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-O 121.095 0.474 . . . . 25.0 110.906 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -78.73 -44.03 10.96 Favored Glycine 0 C--O 1.243 0.698 0 N-CA-C 115.255 0.862 . . . . 25.0 115.255 -177.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.63 -171.01 47.87 Favored Glycine 0 C--O 1.245 0.805 0 C-N-CA 121.171 -0.537 . . . . 25.0 112.793 -178.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.86 158.51 21.84 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 122.542 -0.387 . . . . 25.0 111.193 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.29 171.86 45.59 Favored Glycine 0 N--CA 1.464 0.514 0 N-CA-C 109.754 -1.338 . . . . 25.0 109.754 -175.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.9 ptp85 -95.67 130.09 42.67 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 107.521 -1.288 . . . . 25.0 107.521 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -130.35 164.22 25.16 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 112.509 0.559 . . . . 50.0 112.509 -168.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.8 mpt_? -131.78 126.07 33.49 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 105.262 -2.125 . . . . 25.0 105.262 178.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.6 mp -127.36 102.18 6.79 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 123.463 0.477 . . . . 25.0 111.568 -172.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 31.7 m -87.99 117.9 27.17 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.813 -0.439 . . . . 25.0 109.813 179.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -84.98 -43.13 6.84 Favored Glycine 0 C--O 1.241 0.553 0 C-N-CA 120.123 -1.037 . . . . 25.0 112.083 -178.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 69.17 -162.05 51.84 Favored Glycine 0 C--O 1.24 0.514 0 C-N-CA 121.098 -0.572 . . . . 25.0 111.832 -178.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 95.5 mt -64.58 156.85 28.6 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 122.229 -0.571 . . . . 25.0 110.95 179.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.17 164.62 32.31 Favored Glycine 0 C--O 1.243 0.703 0 CA-C-N 115.251 -0.886 . . . . 25.0 111.127 -178.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.89 110.57 19.51 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 106.409 -1.7 . . . . 25.0 106.409 178.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -110.39 148.63 31.62 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.182 -0.463 . . . . 50.0 109.89 -173.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.8 t -124.54 139.53 53.79 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 121.757 0.789 . . . . 25.0 108.934 175.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -121.58 128.02 51.53 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 106.445 -1.687 . . . . 25.0 106.445 -177.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 56.8 ttt85 -126.02 145.59 50.24 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.949 0.881 . . . . 25.0 112.64 -171.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -73.65 150.92 41.0 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 114.747 -1.115 . . . . 25.0 109.29 175.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -110.85 -40.01 4.66 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 106.42 -1.696 . . . . 25.0 106.42 168.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 41.4 tp -142.72 153.88 43.76 Favored 'General case' 0 C--O 1.221 -0.405 0 N-CA-C 108.324 -0.991 . . . . 25.0 108.324 178.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 38.2 ptt180 -61.01 -24.96 66.56 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 121.649 0.738 . . . . 25.0 112.783 178.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -83.71 1.74 41.16 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.215 0.531 . . . . 25.0 111.355 -175.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -67.47 -23.2 65.47 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 122.085 -0.384 . . . . 25.0 110.753 178.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.3 m -125.32 42.54 3.26 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 113.473 0.916 . . . . 25.0 113.473 -174.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 59.0 t60 -100.44 142.29 32.12 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 113.32 0.859 . . . . 25.0 113.32 -176.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 30.1 mtm180 -135.86 155.09 50.84 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 108.105 -1.072 . . . . 25.0 108.105 173.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 82.0 p -146.92 168.41 11.47 Favored Pre-proline 0 C--N 1.325 -0.476 0 N-CA-C 105.758 -1.941 . . . . 25.0 105.758 178.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_endo -69.82 -11.24 30.36 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 115.449 -2.567 . . . . 25.0 113.462 178.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 78.2 mt -85.52 -7.32 58.95 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.6 0.238 . . . . 25.0 111.043 179.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 153.53 167.21 15.56 Favored Glycine 0 C--O 1.229 -0.176 0 C-N-CA 120.792 -0.718 . . . . 25.0 113.669 178.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.2 t -103.91 144.52 31.41 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.349 -0.611 . . . . 25.0 109.349 178.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -134.08 11.63 3.91 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 106.712 -1.588 . . . . 25.0 106.712 177.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.6 t -92.09 177.36 6.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.736 -1.12 . . . . 25.0 111.104 -175.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -116.17 158.26 23.55 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.818 -0.628 . . . . 50.0 112.683 -171.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.9 mp -119.79 135.21 54.95 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 106.794 -1.558 . . . . 25.0 106.794 173.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 53.8 mt -105.41 141.88 19.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 N-CA-C 104.205 -2.517 . . . . 25.0 104.205 174.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -117.89 142.11 47.69 Favored 'General case' 0 C--N 1.314 -0.947 0 N-CA-C 108.326 -0.99 . . . . 25.0 108.326 -175.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 56.24 46.45 21.23 Favored 'General case' 0 C--O 1.248 0.98 0 CA-C-O 121.921 0.867 . . . . 25.0 110.368 177.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -83.03 128.86 34.86 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.884 -1.053 . . . . 25.0 109.594 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -99.59 103.48 21.58 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-N 115.701 -0.681 . . . . 25.0 109.807 179.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -69.95 7.01 1.15 Allowed 'Trans proline' 0 CA--C 1.541 0.838 0 N-CA-C 115.512 1.312 . . . . 25.0 115.512 179.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 10.7 t -110.36 -6.2 15.04 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 115.983 -0.553 . . . . 25.0 111.172 177.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -141.7 -34.86 0.46 Allowed 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 114.079 1.14 . . . . 25.0 114.079 -174.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -88.6 158.73 18.17 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.01 0.433 . . . . 50.0 111.047 -173.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 46.9 tptt -132.94 146.8 52.11 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 116.504 -0.316 . . . . 25.0 111.238 -178.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 19.3 mt -123.63 112.14 32.0 Favored 'Isoleucine or valine' 0 C--O 1.243 0.735 0 N-CA-C 109.116 -0.698 . . . . 25.0 109.116 175.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -79.62 121.02 24.76 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 106.841 -1.54 . . . . 25.0 106.841 176.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 17.0 m -130.37 26.6 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 CA-C-O 121.622 0.725 . . . . 25.0 111.552 -175.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.23 -29.58 68.84 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 114.316 1.228 . . . . 25.0 114.316 -175.419 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -74.19 -19.68 60.46 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 113.033 0.753 . . . . 25.0 113.033 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 14.4 mt -84.08 -28.76 27.34 Favored 'General case' 0 C--O 1.216 -0.698 0 N-CA-C 106.232 -1.766 . . . . 25.0 106.232 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 62.74 48.23 82.87 Favored Glycine 0 C--O 1.223 -0.587 0 CA-C-N 113.77 -1.559 . . . . 25.0 116.926 166.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -65.28 105.36 1.1 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 117.573 0.686 . . . . 25.0 109.742 177.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 16.2 tt -90.44 -18.73 7.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.09 -0.505 . . . . 25.0 111.238 -174.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -114.35 148.05 18.8 Favored Glycine 0 CA--C 1.51 -0.278 0 C-N-CA 120.811 -0.709 . . . . 25.0 113.227 -179.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 64.7 mt -59.65 -33.51 71.62 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 114.431 1.271 . . . . 25.0 114.431 -174.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 172.57 159.27 18.76 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.495 -0.86 . . . . 25.0 113.423 178.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.5 t30 154.71 -43.1 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 127.697 2.399 . . . . 25.0 107.654 177.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 105.78 -1.75 38.92 Favored Glycine 0 N--CA 1.46 0.261 0 CA-C-N 116.229 -0.441 . . . . 25.0 114.145 175.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -139.71 159.44 42.17 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.316 -0.994 . . . . 25.0 108.316 178.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 58.13 48.73 12.47 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.807 0.843 . . . . 25.0 112.495 -178.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 74.2 27.0 66.99 Favored Glycine 0 C--N 1.329 0.192 0 C-N-CA 121.044 -0.598 . . . . 25.0 114.262 174.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 44.0 p -126.5 157.21 39.29 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.829 -1.175 . . . . 25.0 107.829 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.8 mt -97.59 161.52 13.73 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 114.887 1.44 . . . . 25.0 114.887 -174.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -147.45 150.87 35.44 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 104.515 -2.402 . . . . 25.0 104.515 171.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 7.1 p -135.18 154.84 36.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 110.162 -0.31 . . . . 25.0 110.162 -175.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 46.4 m -147.43 160.75 42.21 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.03 -1.1 . . . . 25.0 108.03 177.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 25.5 mt -132.8 159.06 40.86 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.486 -0.931 . . . . 25.0 108.486 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 99.0 p -80.01 170.45 16.45 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.222 -1.399 . . . . 25.0 107.222 172.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -55.86 -34.89 65.87 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 114.161 1.171 . . . . 25.0 114.161 -176.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -102.84 5.62 38.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.393 0.616 . . . . 25.0 110.475 -175.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 72.27 4.09 59.07 Favored Glycine 0 C--O 1.224 -0.493 0 CA-C-N 116.063 -0.517 . . . . 25.0 113.614 -177.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 97.1 mt -70.65 -15.08 62.7 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 113.273 0.842 . . . . 25.0 113.273 -175.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 41.2 mtt85 -137.86 148.61 45.56 Favored 'General case' 0 CA--C 1.51 -0.569 0 N-CA-C 108.834 -0.802 . . . . 25.0 108.834 177.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 7.2 m -126.49 147.58 49.81 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 106.707 -1.59 . . . . 25.0 106.707 178.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -134.37 145.26 48.8 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 107.639 -1.245 . . . . 25.0 107.639 179.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.8 mp -133.41 145.96 50.77 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.378 -0.601 . . . . 25.0 109.378 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -138.15 131.78 30.93 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.374 -0.375 . . . . 25.0 110.686 178.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 32.4 t -141.61 102.57 4.21 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 107.494 -1.299 . . . . 25.0 107.494 169.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -79.31 130.78 35.79 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 105.517 -2.031 . . . . 25.0 105.517 177.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -120.12 150.89 39.88 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.435 -0.95 . . . . 25.0 108.435 -177.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -132.79 13.27 4.39 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 113.374 0.879 . . . . 25.0 113.374 -177.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -104.27 -42.58 5.46 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 108.393 -0.966 . . . . 25.0 108.393 179.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -82.38 56.92 3.43 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.966 -1.016 . . . . 25.0 110.591 177.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? 60.43 28.61 18.27 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-O 121.524 0.678 . . . . 25.0 112.803 176.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 71.97 19.94 78.61 Favored Glycine 0 CA--C 1.522 0.481 0 C-N-CA 120.591 -0.814 . . . . 25.0 114.346 177.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -85.77 101.93 13.22 Favored 'General case' 0 C--O 1.217 -0.633 0 O-C-N 122.18 -0.6 . . . . 25.0 111.181 -176.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.8 p -62.17 132.32 52.4 Favored 'General case' 0 C--O 1.243 0.753 0 CA-C-N 116.267 -0.424 . . . . 25.0 110.916 176.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -103.69 107.89 18.94 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 107.18 -1.415 . . . . 25.0 107.18 177.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 -129.64 135.08 48.1 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 107.818 -1.178 . . . . 25.0 107.818 -175.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.4 mp -130.72 168.13 17.69 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 122.36 0.264 . . . . 25.0 110.635 -171.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -146.11 151.78 38.23 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.109 -1.071 . . . . 25.0 108.109 175.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 39.2 mt -136.67 142.65 43.19 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 107.205 -1.405 . . . . 25.0 107.205 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -122.01 148.11 45.23 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.299 -1.0 . . . . 25.0 108.299 178.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 67.11 48.92 57.07 Favored Glycine 0 C--O 1.223 -0.568 0 C-N-CA 120.718 -0.753 . . . . 25.0 113.718 174.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -97.16 145.42 26.04 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 122.147 -0.619 . . . . 25.0 109.969 -179.475 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 72.8 m80 -76.95 91.39 3.59 Favored 'General case' 0 C--O 1.216 -0.661 0 N-CA-C 109.042 -0.725 . . . . 25.0 109.042 172.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -62.52 -27.16 68.97 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.856 -0.794 . . . . 25.0 108.856 175.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.34 -26.9 68.12 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.545 -0.752 . . . . 25.0 111.472 176.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 73.2 p -126.73 30.02 5.58 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 112.421 0.526 . . . . 25.0 112.421 179.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.1 pp -62.34 147.26 48.85 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.455 0.645 . . . . 25.0 111.22 -178.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 40.5 t -155.3 151.06 27.54 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.024 -0.732 . . . . 25.0 109.024 -179.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -79.65 -12.51 59.82 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 121.456 0.646 . . . . 25.0 111.085 176.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -71.54 1.45 28.45 Favored Glycine 0 CA--C 1.52 0.403 0 N-CA-C 116.89 1.516 . . . . 25.0 116.89 -173.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -70.32 -20.3 63.01 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 117.846 0.823 . . . . 25.0 112.659 -179.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 27.1 pt -76.88 152.22 5.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.134 0.492 . . . . 25.0 111.146 -177.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 7.5 p -64.62 -25.31 37.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 N-CA-C 112.72 0.637 . . . . 25.0 112.72 -177.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -74.22 -28.68 61.36 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 122.165 -0.334 . . . . 25.0 111.792 -175.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . 52.04 -156.79 0.14 Allowed 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.549 0.739 . . . . 25.0 112.447 178.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . 55.46 16.88 1.97 Allowed 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 116.193 1.923 . . . . 25.0 116.193 176.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -67.76 140.03 56.67 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.651 -0.5 . . . . 25.0 109.651 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 10.9 t -76.12 144.59 75.58 Favored Pre-proline 0 C--N 1.321 -0.656 0 N-CA-C 107.894 -1.15 . . . . 25.0 107.894 177.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -74.61 143.82 30.97 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 116.107 -2.129 . . . . 25.0 112.378 179.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 N-CA-C 107.651 -2.18 . . . . 25.0 107.651 179.792 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 206' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 118.355 -0.831 . . . . 25.0 109.568 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 64.44 161.98 0.12 Allowed 'General case' 0 N--CA 1.478 0.926 0 O-C-N 124.89 1.369 . . . . 25.0 112.164 -176.189 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -102.89 -178.12 26.73 Favored Glycine 0 N--CA 1.453 -0.193 0 CA-C-N 116.277 -0.419 . . . . 25.0 113.609 -176.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.5 t -107.39 -173.62 2.33 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 106.487 -1.672 . . . . 25.0 106.487 177.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -84.7 4.3 33.28 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 120.946 -1.096 . . . . 25.0 112.447 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -86.82 -164.06 39.48 Favored Glycine 0 C--N 1.32 -0.34 0 N-CA-C 108.764 -1.735 . . . . 25.0 108.764 170.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 53.5 m-20 -87.37 136.64 32.86 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 118.431 1.116 . . . . 25.0 108.443 177.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -134.3 154.64 51.19 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 121.24 0.543 . . . . 50.0 112.018 -177.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 99.3 t -124.5 114.14 39.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 104.989 -2.226 . . . . 25.0 104.989 171.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 45.2 mt -121.52 131.0 53.9 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.144 -1.058 . . . . 25.0 108.144 -174.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 83.0 mt -132.62 127.08 55.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 107.528 -1.286 . . . . 25.0 107.528 -179.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -91.11 -173.52 43.67 Favored Glycine 0 N--CA 1.452 -0.267 0 CA-C-O 121.629 0.572 . . . . 25.0 113.135 -178.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 83.7 p -123.26 -168.31 1.75 Allowed 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 123.439 0.695 . . . . 25.0 109.491 -178.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -76.21 -16.39 59.85 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 114.877 1.436 . . . . 25.0 114.877 -174.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.2 m -81.03 166.62 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 109.083 -0.71 . . . . 25.0 109.083 178.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.99 134.41 18.51 Favored Glycine 0 N--CA 1.454 -0.125 0 N-CA-C 110.458 -1.057 . . . . 25.0 110.458 178.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -140.3 161.74 36.96 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 117.311 0.556 . . . . 50.0 112.226 -173.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -117.01 121.37 41.16 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 105.49 -2.041 . . . . 25.0 105.49 172.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 59.0 mt -126.65 118.69 51.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 108.082 -1.081 . . . . 25.0 108.082 -175.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.1 m -117.46 127.11 53.69 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.045 -0.525 . . . . 25.0 109.866 -178.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.1 -30.9 18.79 Favored Glycine 0 CA--C 1.517 0.174 0 C-N-CA 121.03 -0.605 . . . . 25.0 114.445 -176.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 74.38 -161.64 53.77 Favored Glycine 0 C--O 1.243 0.674 0 CA-C-N 117.504 0.652 . . . . 25.0 111.744 -178.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.68 178.22 3.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 121.837 -0.802 . . . . 25.0 109.064 177.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.52 171.63 41.9 Favored Glycine 0 C--O 1.243 0.674 0 C-N-CA 121.041 -0.6 . . . . 25.0 112.026 -178.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -86.79 124.07 32.63 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.079 -1.082 . . . . 25.0 108.079 -178.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -130.85 149.9 52.26 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.97 1.1 . . . . 50.0 113.97 -173.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 -108.22 127.64 54.02 Favored 'General case' 0 CA--C 1.506 -0.722 0 N-CA-C 104.875 -2.268 . . . . 25.0 104.875 163.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.7 mp -115.74 142.95 46.06 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 103.269 -2.863 . . . . 25.0 103.269 172.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -142.55 132.5 24.35 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 104.878 -2.267 . . . . 25.0 104.878 176.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -101.94 -22.8 9.72 Favored Glycine 0 C--N 1.318 -0.452 0 N-CA-C 114.183 0.433 . . . . 25.0 114.183 -172.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 64.7 -157.57 45.08 Favored Glycine 0 C--O 1.245 0.831 0 C-N-CA 120.513 -0.851 . . . . 25.0 111.365 -175.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.06 175.24 7.63 Favored 'General case' 0 C--O 1.243 0.729 0 O-C-N 121.992 -0.711 . . . . 25.0 110.548 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.26 166.49 34.25 Favored Glycine 0 C--O 1.238 0.347 0 N-CA-C 110.621 -0.992 . . . . 25.0 110.621 -177.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -82.64 136.78 34.69 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 107.138 -1.43 . . . . 25.0 107.138 -179.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -138.06 153.88 49.31 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 113.649 0.981 . . . . 50.0 113.649 -172.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.4 mp -111.37 126.87 55.38 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 106.533 -1.654 . . . . 25.0 106.533 176.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.1 mp -129.36 109.97 11.53 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 112.788 0.662 . . . . 25.0 112.788 -175.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -95.35 116.48 28.84 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 109.84 -0.43 . . . . 25.0 109.84 178.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -70.35 -52.06 19.0 Favored Glycine 0 C--O 1.247 0.917 0 C-N-CA 120.396 -0.906 . . . . 25.0 113.965 -178.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.81 174.71 45.23 Favored Glycine 0 C--O 1.237 0.307 0 O-C-N 122.334 -0.51 . . . . 25.0 112.292 -178.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.43 156.22 8.21 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 122.034 -0.686 . . . . 25.0 110.305 179.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.27 168.82 40.41 Favored Glycine 0 C--O 1.242 0.644 0 N-CA-C 111.026 -0.83 . . . . 25.0 111.026 -176.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.9 ptp85 -88.4 129.6 35.38 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 107.309 -1.367 . . . . 25.0 107.309 -179.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -130.12 160.07 34.87 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 112.981 0.734 . . . . 50.0 112.981 -171.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? -122.39 112.4 18.04 Favored 'General case' 0 CA--C 1.512 -0.512 0 N-CA-C 106.249 -1.759 . . . . 25.0 106.249 176.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.1 mp -110.81 100.29 9.06 Favored 'General case' 0 C--N 1.321 -0.66 0 O-C-N 123.172 0.295 . . . . 25.0 110.212 -174.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 20.5 m -91.3 114.75 27.36 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.081 -0.711 . . . . 25.0 109.081 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -83.08 -40.97 8.86 Favored Glycine 0 C--O 1.237 0.331 0 C-N-CA 119.798 -1.191 . . . . 25.0 112.759 -177.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.446 ' H ' ' HB2' ' A' ' 77' ' ' ASP . . . 72.68 -163.62 54.78 Favored Glycine 0 C--O 1.242 0.642 0 N-CA-C 111.136 -0.786 . . . . 25.0 111.136 -177.427 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 89.2 mt -64.08 156.63 27.67 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 120.958 0.409 . . . . 25.0 110.527 177.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 92.5 168.28 39.87 Favored Glycine 0 C--O 1.247 0.915 0 CA-C-N 115.359 -0.837 . . . . 25.0 111.166 -179.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -82.95 123.18 29.18 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 106.854 -1.535 . . . . 25.0 106.854 178.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -120.65 141.41 50.39 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 109.556 -0.535 . . . . 50.0 109.556 -175.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.8 t -114.93 122.68 47.03 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 107.847 -1.168 . . . . 25.0 107.847 177.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -104.84 129.54 53.14 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 105.982 -1.858 . . . . 25.0 105.982 -177.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.6 ttt180 -131.81 148.06 52.53 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 114.405 1.261 . . . . 25.0 114.405 -169.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 41.9 p90 -78.07 160.78 27.88 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.043 -0.981 . . . . 25.0 108.697 172.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -128.45 -2.11 5.55 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 109.646 -0.502 . . . . 25.0 109.646 166.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 28.6 tp -154.97 163.36 40.42 Favored 'General case' 0 C--O 1.218 -0.59 0 N-CA-C 107.384 -1.339 . . . . 25.0 107.384 -179.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 40.5 ptt180 -75.46 -17.65 60.09 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 118.775 0.716 . . . . 25.0 111.505 175.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -100.09 13.76 32.99 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 121.859 0.838 . . . . 25.0 110.36 -177.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -57.88 -31.54 66.82 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.299 -0.864 . . . . 25.0 112.348 -178.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 29.1 p -138.77 85.08 2.05 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.993 -0.743 . . . . 25.0 108.993 -179.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -134.23 150.44 51.03 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 116.343 -0.39 . . . . 25.0 110.197 -172.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 77.8 mtt180 -133.11 143.67 49.44 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.585 0.707 . . . . 25.0 110.772 176.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 18.9 t -146.2 156.63 50.32 Favored Pre-proline 0 C--N 1.323 -0.585 0 N-CA-C 105.285 -2.116 . . . . 25.0 105.285 -177.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -67.19 -14.72 44.14 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 115.731 -2.38 . . . . 25.0 112.79 175.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 84.5 mt -81.59 -3.9 54.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.765 0.317 . . . . 25.0 111.39 177.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 152.26 151.11 5.55 Favored Glycine 0 N--CA 1.451 -0.335 0 CA-C-O 121.605 0.559 . . . . 25.0 113.079 179.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.1 t -100.12 143.74 29.96 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.692 -0.855 . . . . 25.0 108.692 178.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -133.58 19.15 3.91 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 107.49 -1.3 . . . . 25.0 107.49 179.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 68.6 p -70.91 154.09 42.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.663 -0.699 . . . . 25.0 110.385 -178.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -105.83 155.42 19.33 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.193 0.52 . . . . 50.0 111.605 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 65.5 tp -121.09 131.34 54.21 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 106.493 -1.669 . . . . 25.0 106.493 175.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 44.5 mt -107.95 146.69 13.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 N-CA-C 104.046 -2.575 . . . . 25.0 104.046 177.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -124.89 148.61 48.2 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 106.754 -1.572 . . . . 25.0 106.754 -176.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.446 ' HB2' ' H ' ' A' ' 49' ' ' GLY . 59.2 m-20 57.53 44.19 21.53 Favored 'General case' 0 C--O 1.245 0.838 0 O-C-N 124.172 0.92 . . . . 25.0 110.337 178.329 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -79.77 124.27 28.45 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.881 0.848 . . . . 25.0 110.536 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -105.02 94.23 7.44 Favored Pre-proline 0 C--N 1.318 -0.768 0 CA-C-N 114.749 -1.114 . . . . 25.0 108.687 178.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -61.41 -16.46 47.42 Favored 'Trans proline' 0 CA--C 1.535 0.559 0 N-CA-C 115.131 1.166 . . . . 25.0 115.131 -179.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.7 t -77.56 -10.93 59.77 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 113.143 0.794 . . . . 25.0 113.143 175.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -140.51 -38.2 0.45 Allowed 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 115.037 1.495 . . . . 25.0 115.037 -173.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -79.45 159.01 27.19 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.278 0.561 . . . . 50.0 112.003 -172.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 32.6 tptt -133.46 149.19 51.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.017 -0.538 . . . . 25.0 111.061 -177.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 49.4 mt -124.96 118.02 51.87 Favored 'Isoleucine or valine' 0 C--O 1.24 0.605 0 N-CA-C 109.351 -0.611 . . . . 25.0 109.351 176.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -87.78 130.95 34.69 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-O 122.11 0.957 . . . . 25.0 108.58 176.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.7 m -138.23 20.99 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.944 0 CA-C-N 113.937 -1.483 . . . . 25.0 110.459 -176.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.8 t -53.22 -37.4 61.99 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 113.909 1.077 . . . . 25.0 113.909 -174.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -75.86 -6.55 51.32 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 113.834 1.05 . . . . 25.0 113.834 179.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 9.9 mt -103.6 -40.22 6.4 Favored 'General case' 0 C--O 1.219 -0.528 0 N-CA-C 107.593 -1.262 . . . . 25.0 107.593 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 76.95 -8.85 27.82 Favored Glycine 0 C--O 1.227 -0.303 0 CA-C-N 114.775 -1.102 . . . . 25.0 115.843 175.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -66.81 129.88 41.32 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 117.391 0.596 . . . . 25.0 110.711 -177.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 4.7 tp -143.09 -41.45 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 N-CA-C 112.715 0.635 . . . . 25.0 112.715 -178.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -63.6 147.3 50.64 Favored Glycine 0 C--O 1.217 -0.947 0 N-CA-C 109.733 -1.347 . . . . 25.0 109.733 178.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 88.0 mt -111.88 9.91 20.67 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 117.951 0.875 . . . . 25.0 112.066 -175.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -65.32 -42.96 95.84 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 120.022 2.769 . . . . 25.0 120.022 -169.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -132.44 -25.33 1.95 Allowed 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 116.645 2.091 . . . . 25.0 116.645 -171.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 82.35 8.72 85.93 Favored Glycine 0 C--N 1.323 -0.148 0 C-N-CA 120.666 -0.778 . . . . 25.0 111.618 -174.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -141.36 168.19 20.36 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 106.893 -1.521 . . . . 25.0 106.893 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 53.26 44.38 30.24 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.248 0.619 . . . . 25.0 112.562 177.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 82.79 0.19 89.98 Favored Glycine 0 CA--C 1.517 0.188 0 C-N-CA 120.796 -0.716 . . . . 25.0 114.828 176.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 51.8 p -102.31 162.52 12.85 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.658 -0.868 . . . . 25.0 108.658 176.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.1 mt -104.45 170.45 7.89 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 107.495 -1.298 . . . . 25.0 107.495 178.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -137.36 140.57 41.51 Favored 'General case' 0 C--N 1.317 -0.807 1 N-CA-C 100.179 -4.008 . . . . 25.0 100.179 167.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 12.2 p -125.91 146.04 32.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 N-CA-C 107.765 -1.198 . . . . 25.0 107.765 -176.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 65.4 p -147.11 165.89 28.59 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 107.88 -1.156 . . . . 25.0 107.88 -177.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 69.0 mt -130.98 164.96 24.21 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.838 -0.801 . . . . 25.0 108.838 -177.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 84.6 p -74.89 171.24 14.38 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 106.302 -1.74 . . . . 25.0 106.302 168.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.49 -26.42 61.27 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 113.706 1.002 . . . . 25.0 113.706 -178.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -102.11 -1.17 32.1 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.322 0.582 . . . . 25.0 110.339 -174.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 74.48 0.43 58.14 Favored Glycine 0 CA--C 1.521 0.416 0 CA-C-N 115.926 -0.579 . . . . 25.0 112.731 -174.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 92.7 mt -76.38 -10.25 59.26 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 113.96 1.096 . . . . 25.0 113.96 -173.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 29.9 mtt85 -136.52 149.47 48.15 Favored 'General case' 0 CA--C 1.508 -0.638 0 N-CA-C 106.716 -1.587 . . . . 25.0 106.716 177.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 13.5 m -129.19 141.87 51.03 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.871 -0.789 . . . . 25.0 108.871 -178.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -127.69 134.6 49.59 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 107.941 -1.133 . . . . 25.0 107.941 178.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 5.6 mp -123.49 128.43 49.78 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.675 -1.232 . . . . 25.0 107.675 -176.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -131.3 133.75 45.68 Favored 'General case' 0 C--O 1.214 -0.79 0 N-CA-C 109.725 -0.472 . . . . 25.0 109.725 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 27.3 t -136.1 164.55 27.76 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 106.081 -1.822 . . . . 25.0 106.081 175.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -152.11 136.5 16.77 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 107.911 -1.144 . . . . 25.0 107.911 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -119.71 149.37 42.12 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.343 -0.984 . . . . 25.0 108.343 177.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -139.89 15.5 2.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.916 0.389 . . . . 25.0 111.98 173.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -77.68 -39.11 45.98 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 107.843 -1.169 . . . . 25.0 107.843 179.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -146.61 15.03 1.24 Allowed 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.657 0.614 . . . . 25.0 112.657 179.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -132.74 -65.05 0.73 Allowed 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 115.049 1.5 . . . . 25.0 115.049 -176.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 77.1 34.46 41.64 Favored Glycine 0 C--N 1.316 -0.557 0 N-CA-C 108.698 -1.761 . . . . 25.0 108.698 -172.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 25.7 mmt180 -133.48 157.35 45.84 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 120.915 0.388 . . . . 25.0 111.958 -173.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 50.1 m -90.77 146.83 23.65 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.526 -0.761 . . . . 25.0 110.057 177.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -130.43 116.66 18.55 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 105.52 -2.03 . . . . 25.0 105.52 176.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -138.44 146.82 42.57 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.272 0.471 . . . . 25.0 112.272 -165.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 5.1 mp -138.88 165.26 27.52 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 107.684 -1.228 . . . . 25.0 107.684 -179.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -144.55 151.69 39.46 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.64 -0.504 . . . . 25.0 109.64 175.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 45.4 mt -125.1 128.89 49.16 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 107.327 -1.36 . . . . 25.0 107.327 177.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -112.48 147.34 36.74 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 106.985 -1.487 . . . . 25.0 106.985 174.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 77.38 29.32 56.22 Favored Glycine 0 C--O 1.223 -0.591 0 N-CA-C 109.719 -1.352 . . . . 25.0 109.719 -178.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -69.07 117.05 10.23 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.061 0.458 . . . . 25.0 111.654 -178.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 76.2 m80 -80.62 78.72 7.34 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.429 0.633 . . . . 25.0 109.716 174.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -61.54 -26.59 68.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.778 -0.646 . . . . 25.0 109.649 176.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.72 -25.82 67.66 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 115.877 -0.601 . . . . 25.0 110.969 176.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 68.0 p -119.69 35.18 4.93 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 111.499 0.185 . . . . 25.0 111.499 178.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.8 pp -56.84 154.72 8.84 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 121.626 0.727 . . . . 25.0 112.603 -176.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 41.2 t -149.57 150.47 32.3 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.685 -0.688 . . . . 25.0 109.902 -178.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -88.66 1.8 54.4 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-O 121.466 0.65 . . . . 25.0 109.608 176.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -99.7 10.27 60.72 Favored Glycine 0 C--O 1.221 -0.665 0 N-CA-C 116.012 1.165 . . . . 25.0 116.012 -175.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -62.51 -43.0 99.89 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 118.819 1.31 . . . . 25.0 112.159 -176.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 58.7 mt -73.31 143.97 13.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 107.385 -1.339 . . . . 25.0 107.385 -177.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 10.6 p -52.99 -34.55 20.92 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 N-CA-C 113.468 0.914 . . . . 25.0 113.468 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -75.01 -17.77 60.47 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.822 0.675 . . . . 25.0 112.822 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . 58.33 -166.37 0.16 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.357 1.063 . . . . 25.0 111.402 -175.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . 55.22 23.3 5.35 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 114.448 1.277 . . . . 25.0 114.448 179.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -81.28 62.17 5.08 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 121.256 0.551 . . . . 25.0 110.843 -179.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 10.7 t -76.3 143.19 72.61 Favored Pre-proline 0 C--N 1.321 -0.631 0 N-CA-C 108.065 -1.087 . . . . 25.0 108.065 -179.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -75.11 168.58 24.44 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 117.594 -1.137 . . . . 25.0 112.468 179.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.258 0 N-CA-C 105.479 -3.048 . . . . 25.0 105.479 177.721 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 206' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.661 0 CA-C-O 118.825 -0.607 . . . . 25.0 109.993 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 48.31 90.83 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 116.763 2.134 . . . . 25.0 116.763 177.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.1 167.43 45.55 Favored Glycine 0 C--N 1.323 -0.174 0 N-CA-C 110.753 -0.939 . . . . 25.0 110.753 174.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 71.4 p -87.26 -175.22 5.21 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.315 -0.624 . . . . 25.0 109.315 178.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -87.47 6.13 35.55 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.953 0.882 . . . . 25.0 111.041 173.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -89.22 -160.32 36.34 Favored Glycine 0 C--N 1.323 -0.193 0 N-CA-C 108.952 -1.659 . . . . 25.0 108.952 173.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -94.84 121.83 36.84 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 107.752 -1.203 . . . . 25.0 107.752 177.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -124.51 156.99 36.36 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.321 0.582 . . . . 50.0 111.989 -174.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 94.0 t -123.99 114.64 42.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 105.219 -2.141 . . . . 25.0 105.219 170.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.4 mt -113.98 142.32 46.3 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.471 -0.937 . . . . 25.0 108.471 -176.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.482 ' HA ' ' HB3' ' A' ' 29' ' ' ASP . 36.7 mm -125.84 136.69 60.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 107.203 -1.406 . . . . 25.0 107.203 -178.045 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -94.09 -179.34 38.59 Favored Glycine 0 C--O 1.23 -0.156 0 C-N-CA 121.077 -0.582 . . . . 25.0 112.751 179.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 81.2 p -132.84 179.28 6.26 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.243 -1.021 . . . . 25.0 108.243 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -70.75 -24.53 62.63 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 114.884 1.439 . . . . 25.0 114.884 -174.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.5 m -76.98 165.8 2.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.824 -0.435 . . . . 25.0 109.824 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.6 138.11 26.9 Favored Glycine 0 C--N 1.325 -0.083 0 N-CA-C 110.32 -1.112 . . . . 25.0 110.32 177.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -140.29 163.07 33.75 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 112.862 0.69 . . . . 50.0 112.862 -173.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.2 tm0? -119.84 120.82 37.61 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 104.287 -2.486 . . . . 25.0 104.287 172.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 55.9 mt -132.98 105.53 8.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 122.484 1.135 . . . . 25.0 109.998 -177.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.5 p -93.06 139.81 30.15 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-N 114.476 -1.238 . . . . 25.0 108.753 176.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -97.32 -24.57 12.3 Favored Glycine 0 CA--C 1.517 0.165 0 N-CA-C 114.409 0.524 . . . . 25.0 114.409 -178.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.13 -168.43 52.17 Favored Glycine 0 C--O 1.244 0.761 0 CA-C-N 117.324 0.562 . . . . 25.0 112.749 -178.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.96 -179.32 1.84 Allowed 'General case' 0 CA--C 1.538 0.497 0 O-C-N 122.037 -0.684 . . . . 25.0 109.203 176.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.74 171.03 41.42 Favored Glycine 0 C--O 1.241 0.575 0 C-N-CA 121.089 -0.577 . . . . 25.0 112.031 -178.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -93.09 119.42 32.29 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.001 -1.111 . . . . 25.0 108.001 -178.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -127.51 163.27 24.5 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 114.613 1.338 . . . . 50.0 114.613 -170.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 78.1 ttt-85 -116.44 132.62 56.62 Favored 'General case' 0 CA--C 1.51 -0.558 0 N-CA-C 105.535 -2.024 . . . . 25.0 105.535 162.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.2 mp -121.08 149.69 42.34 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 104.753 -2.314 . . . . 25.0 104.753 176.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.482 ' HB3' ' HA ' ' A' ' 11' ' ' ILE . 8.2 t70 -146.18 139.0 25.57 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 104.945 -2.243 . . . . 25.0 104.945 179.014 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -106.16 -19.24 10.24 Favored Glycine 0 C--O 1.226 -0.398 0 O-C-N 123.503 0.502 . . . . 25.0 113.989 -176.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 64.3 -158.48 42.44 Favored Glycine 0 C--O 1.245 0.813 0 N-CA-C 111.43 -0.668 . . . . 25.0 111.43 -175.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.23 175.61 7.42 Favored 'General case' 0 C--O 1.242 0.703 0 O-C-N 121.995 -0.709 . . . . 25.0 109.997 178.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 78.6 167.96 32.98 Favored Glycine 0 C--O 1.24 0.521 0 N-CA-C 111.558 -0.617 . . . . 25.0 111.558 -178.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -81.88 139.53 34.63 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 107.087 -1.449 . . . . 25.0 107.087 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -141.13 153.43 45.38 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 113.712 1.004 . . . . 50.0 113.712 -173.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.3 mp -114.82 116.33 28.41 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 107.447 -1.316 . . . . 25.0 107.447 177.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.5 mp -122.7 134.25 54.47 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 111.732 0.271 . . . . 25.0 111.732 -176.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -115.48 127.06 55.05 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 109.245 -0.65 . . . . 25.0 109.245 177.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -76.75 -46.69 10.8 Favored Glycine 0 C--O 1.246 0.892 0 C-N-CA 119.931 -1.128 . . . . 25.0 113.409 -178.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.48 -177.88 52.34 Favored Glycine 0 C--O 1.245 0.821 0 N-CA-C 110.103 -1.199 . . . . 25.0 110.103 -175.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.53 162.8 9.79 Favored 'General case' 0 C--O 1.244 0.814 0 N-CA-C 109.779 -0.452 . . . . 25.0 109.779 177.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 86.29 170.0 46.5 Favored Glycine 0 C--O 1.238 0.349 0 N-CA-C 110.523 -1.031 . . . . 25.0 110.523 -176.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.8 ptt180 -91.26 136.23 33.24 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 106.605 -1.628 . . . . 25.0 106.605 179.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -133.34 157.28 45.9 Favored 'General case' 0 C--N 1.317 -0.825 0 O-C-N 122.16 -0.337 . . . . 50.0 111.567 -172.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -118.26 105.18 11.5 Favored 'General case' 0 C--O 1.22 -0.493 0 N-CA-C 106.829 -1.545 . . . . 25.0 106.829 175.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.7 mp -104.37 102.7 12.37 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 122.366 0.267 . . . . 25.0 110.983 -174.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.0 m -89.61 113.53 24.99 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.504 -0.554 . . . . 25.0 109.504 -179.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -83.73 -43.1 7.42 Favored Glycine 0 C--O 1.246 0.847 0 C-N-CA 120.058 -1.068 . . . . 25.0 113.123 -176.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.43 -161.39 53.52 Favored Glycine 0 C--O 1.241 0.565 0 C-N-CA 121.045 -0.597 . . . . 25.0 111.611 -178.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 86.7 mt -63.52 155.45 29.34 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.107 0.48 . . . . 25.0 111.101 179.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 92.44 166.55 39.19 Favored Glycine 0 C--O 1.244 0.769 0 CA-C-N 115.186 -0.915 . . . . 25.0 111.266 -179.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -84.27 118.15 24.0 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 107.053 -1.462 . . . . 25.0 107.053 178.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -116.37 139.7 50.13 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.48 -0.563 . . . . 50.0 109.48 -174.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.9 t -113.58 135.04 54.34 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.419 -0.956 . . . . 25.0 108.419 175.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -117.04 114.41 23.73 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 106.598 -1.63 . . . . 25.0 106.598 -177.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 43.3 ttt-85 -114.07 148.76 36.56 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.512 0.672 . . . . 25.0 112.173 -172.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 30.9 p90 -74.35 157.3 35.97 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.167 -1.049 . . . . 25.0 108.167 171.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -111.07 -42.42 3.96 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 107.264 -1.384 . . . . 25.0 107.264 169.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.3 mp -133.58 172.0 13.34 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 107.499 -1.297 . . . . 25.0 107.499 176.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 41.5 ptt180 -65.78 -15.3 62.74 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-O 121.587 0.708 . . . . 25.0 110.958 173.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -80.57 -0.98 40.14 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.37 -0.832 . . . . 25.0 111.987 -178.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.41 -31.91 72.67 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 113.144 0.794 . . . . 25.0 113.144 -176.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.1 m -150.54 98.28 2.62 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.566 0.698 . . . . 25.0 109.652 177.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -140.2 148.66 41.89 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.301 -1.0 . . . . 25.0 108.301 -174.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -136.03 142.19 44.41 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.263 -0.643 . . . . 25.0 109.263 175.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 87.7 p -150.72 168.41 11.07 Favored Pre-proline 0 C--N 1.322 -0.599 0 N-CA-C 104.701 -2.333 . . . . 25.0 104.701 178.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -70.44 -7.68 21.83 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 115.446 -2.569 . . . . 25.0 113.262 177.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 78.9 mt -90.36 -7.75 52.48 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.872 0.323 . . . . 25.0 111.872 179.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 164.88 157.63 9.8 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.365 -0.921 . . . . 25.0 114.464 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.8 t -115.93 124.81 51.5 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.813 0.816 . . . . 25.0 109.438 178.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -122.68 14.21 10.11 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.316 -0.994 . . . . 25.0 108.316 -176.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 55.0 p -67.36 139.83 57.21 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 115.193 -0.912 . . . . 25.0 110.718 -178.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -90.47 154.55 19.56 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.573 0.701 . . . . 50.0 112.517 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.28 130.84 55.62 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 106.156 -1.794 . . . . 25.0 106.156 176.432 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 38.7 mt -107.99 144.94 15.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 N-CA-C 104.358 -2.46 . . . . 25.0 104.358 176.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -122.9 144.1 49.44 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 108.456 -0.942 . . . . 25.0 108.456 -175.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 57.06 50.47 11.97 Favored 'General case' 0 C--O 1.242 0.707 0 O-C-N 124.387 1.054 . . . . 25.0 109.441 178.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -85.96 131.44 34.28 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.462 -1.245 . . . . 25.0 112.04 -176.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -104.58 96.6 10.58 Favored Pre-proline 0 C--N 1.324 -0.515 0 N-CA-C 108.894 -0.78 . . . . 25.0 108.894 178.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -64.17 -15.36 49.0 Favored 'Trans proline' 0 CA--C 1.533 0.467 0 N-CA-C 116.771 1.796 . . . . 25.0 116.771 -175.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 18.3 m -98.09 2.13 48.35 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 113.499 0.925 . . . . 25.0 113.499 175.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -135.6 -37.41 0.76 Allowed 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 113.744 1.016 . . . . 25.0 113.744 -177.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -80.9 172.8 13.29 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 110.122 -0.325 . . . . 50.0 110.122 -176.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 38.1 tptt -139.25 142.58 37.8 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 122.518 0.327 . . . . 25.0 110.77 -176.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 46.4 mt -125.73 115.41 43.06 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 N-CA-C 109.074 -0.713 . . . . 25.0 109.074 176.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -97.5 111.12 23.52 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.27 0.557 . . . . 25.0 110.232 179.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 24.4 m -116.54 26.9 3.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 CA-C-O 122.11 0.957 . . . . 25.0 110.224 -179.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.38 19.91 0.06 Allowed 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 115.548 1.685 . . . . 25.0 115.548 -177.471 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.9 -34.9 79.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.352 0.596 . . . . 25.0 110.009 178.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 16.3 mt -127.61 -44.33 1.53 Allowed 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 106.775 -1.565 . . . . 25.0 106.775 177.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 91.14 161.02 37.0 Favored Glycine 0 C--O 1.227 -0.299 0 N-CA-C 108.369 -1.892 . . . . 25.0 108.369 -175.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -136.09 135.92 39.71 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.41 -0.959 . . . . 25.0 108.41 -178.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 14.3 tt -87.8 -9.62 10.95 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 CA-C-O 121.548 0.689 . . . . 25.0 111.385 -174.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -150.2 164.48 29.7 Favored Glycine 0 CA--C 1.509 -0.318 0 N-CA-C 110.13 -1.188 . . . . 25.0 110.13 179.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 55.1 mt -122.23 2.66 9.79 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 114.424 1.268 . . . . 25.0 114.424 -173.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -116.92 -28.51 2.43 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 119.221 2.449 . . . . 25.0 119.221 -174.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -89.53 -28.66 19.46 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 115.047 1.499 . . . . 25.0 115.047 -169.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 78.57 4.19 87.31 Favored Glycine 0 CA--C 1.519 0.34 0 N-CA-C 116.338 1.295 . . . . 25.0 116.338 177.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -141.48 167.43 22.18 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.553 -0.906 . . . . 25.0 108.553 -178.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 53.77 46.41 25.89 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 121.21 0.529 . . . . 25.0 112.349 178.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 74.78 26.87 66.07 Favored Glycine 0 C--O 1.229 -0.197 0 C-N-CA 120.523 -0.846 . . . . 25.0 114.115 176.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 47.0 p -124.81 160.49 28.61 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.173 -0.677 . . . . 25.0 109.173 176.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.7 mt -98.56 171.87 7.86 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.403 -0.962 . . . . 25.0 108.403 179.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -157.45 162.11 38.94 Favored 'General case' 0 C--O 1.24 0.567 0 N-CA-C 104.278 -2.489 . . . . 25.0 104.278 173.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 8.9 p -134.23 153.56 36.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 109.539 -0.541 . . . . 25.0 109.539 -179.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 50.9 m -144.35 159.08 43.32 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 106.76 -1.57 . . . . 25.0 106.76 177.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 48.0 mt -132.15 159.42 39.01 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.124 0.488 . . . . 25.0 110.785 -177.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 78.0 p -75.52 169.93 17.13 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 106.423 -1.695 . . . . 25.0 106.423 168.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -54.69 -35.09 63.22 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 114.573 1.323 . . . . 25.0 114.573 -176.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -103.63 3.52 34.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.76 0.791 . . . . 25.0 110.033 -174.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 72.75 -0.14 46.01 Favored Glycine 0 CA--C 1.522 0.495 0 CA-C-N 115.63 -0.713 . . . . 25.0 113.559 -175.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 89.6 mt -68.12 -19.82 64.86 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 112.958 0.725 . . . . 25.0 112.958 -175.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 83.4 mtm180 -131.73 148.98 52.62 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 107.211 -1.403 . . . . 25.0 107.211 175.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 16.0 m -133.54 152.42 51.9 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.566 -0.902 . . . . 25.0 108.566 -175.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -134.32 143.68 47.85 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 106.701 -1.592 . . . . 25.0 106.701 179.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.7 mp -124.52 139.48 53.84 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 106.13 -1.804 . . . . 25.0 106.13 -178.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.55 136.49 39.34 Favored 'General case' 0 C--O 1.218 -0.587 0 N-CA-C 112.105 0.409 . . . . 25.0 112.105 -175.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 30.1 t -148.28 160.89 42.51 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 107.897 -1.149 . . . . 25.0 107.897 175.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -150.72 139.15 20.45 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.663 -0.495 . . . . 25.0 109.663 179.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -114.68 140.92 48.45 Favored 'General case' 0 CA--C 1.505 -0.771 0 N-CA-C 106.902 -1.518 . . . . 25.0 106.902 173.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -142.64 15.4 1.97 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.255 0.55 . . . . 25.0 111.258 177.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.83 -31.2 51.51 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 107.999 -1.111 . . . . 25.0 107.999 -178.515 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -152.15 -34.6 0.13 Allowed 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 113.68 0.992 . . . . 25.0 113.68 178.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -88.03 -40.48 13.81 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.709 0.633 . . . . 25.0 112.709 -173.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 66.79 42.64 92.95 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 120.961 -0.638 . . . . 25.0 111.74 -178.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 83.5 mmt-85 -131.78 154.99 48.52 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 113.52 0.933 . . . . 25.0 113.52 -174.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.55 138.83 31.17 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.022 -0.99 . . . . 25.0 110.86 176.075 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -127.76 104.84 8.06 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 105.812 -1.921 . . . . 25.0 105.812 177.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 74.5 mt-10 -134.86 150.28 50.44 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.884 -0.413 . . . . 25.0 109.884 -168.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.7 mp -138.31 172.01 13.54 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 109.186 -0.672 . . . . 25.0 109.186 -176.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -144.54 156.81 44.33 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 120.668 0.27 . . . . 25.0 110.389 174.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 33.9 mt -130.37 130.78 44.82 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 106.566 -1.642 . . . . 25.0 106.566 176.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -118.73 146.15 44.98 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 105.618 -1.993 . . . . 25.0 105.618 174.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 74.73 37.1 46.16 Favored Glycine 0 C--O 1.226 -0.344 0 N-CA-C 108.943 -1.663 . . . . 25.0 108.943 -176.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -82.77 123.76 29.63 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.244 -0.478 . . . . 25.0 110.905 -178.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 73.9 m80 -80.39 75.86 7.21 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.248 0.547 . . . . 25.0 110.197 175.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -61.72 -26.67 68.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.861 -0.609 . . . . 25.0 110.528 177.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.53 -23.54 66.0 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 116.252 -0.431 . . . . 25.0 110.474 175.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 70.3 p -116.55 27.23 9.32 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 112.086 0.402 . . . . 25.0 112.086 177.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.1 pp -59.5 142.19 53.08 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 122.096 0.95 . . . . 25.0 112.284 -174.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 31.2 t -156.12 154.3 30.69 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 104.78 -2.304 . . . . 25.0 104.78 178.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -95.05 -1.4 52.3 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.722 0.296 . . . . 25.0 110.841 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -63.6 -18.4 61.36 Favored Glycine 0 CA--C 1.521 0.435 0 N-CA-C 115.451 0.94 . . . . 25.0 115.451 -176.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 17.2 p30 -71.03 -13.5 62.01 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 114.351 1.241 . . . . 25.0 114.351 -178.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 10.8 pt -78.92 144.27 11.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 121.531 -0.73 . . . . 25.0 110.212 -179.045 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 8.2 p -60.73 -25.91 36.63 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 N-CA-C 112.399 0.518 . . . . 25.0 112.399 -179.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -74.28 -21.13 59.89 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 113.328 0.862 . . . . 25.0 113.328 -177.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . 52.51 -152.98 0.24 Allowed 'General case' 0 CA--C 1.54 0.565 0 O-C-N 123.646 0.591 . . . . 25.0 110.326 -176.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . 62.26 -16.85 0.05 OUTLIER 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 118.328 2.714 . . . . 25.0 118.328 174.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -75.28 67.43 1.88 Allowed 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 113.22 0.822 . . . . 25.0 113.22 -178.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 4.7 t -93.94 148.79 35.87 Favored Pre-proline 0 C--N 1.322 -0.591 0 N-CA-C 107.609 -1.256 . . . . 25.0 107.609 177.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -75.71 165.66 29.83 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 116.799 -1.667 . . . . 25.0 112.271 178.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.372 0 N-CA-C 105.828 -2.909 . . . . 25.0 105.828 178.663 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 206' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.74 0 CA-C-O 118.245 -0.883 . . . . 25.0 109.751 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 39.24 96.24 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 117.508 2.41 . . . . 25.0 117.508 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -71.92 147.24 41.16 Favored Glycine 0 C--O 1.227 -0.299 0 C-N-CA 120.035 -1.079 . . . . 25.0 111.802 176.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 68.9 p -86.93 -174.99 5.2 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 107.842 -1.17 . . . . 25.0 107.842 177.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -87.22 5.08 39.9 Favored 'General case' 0 C--N 1.321 -0.659 0 O-C-N 121.16 -0.963 . . . . 25.0 111.449 173.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -89.01 -160.47 36.49 Favored Glycine 0 N--CA 1.459 0.211 0 N-CA-C 108.403 -1.879 . . . . 25.0 108.403 172.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -93.01 128.21 38.8 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.945 -1.131 . . . . 25.0 107.945 177.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -127.62 155.66 43.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.223 0.535 . . . . 50.0 111.919 -176.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 88.0 t -120.48 117.41 53.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 105.167 -2.16 . . . . 25.0 105.167 171.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 70.9 mt -121.66 131.82 54.31 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.33 -0.989 . . . . 25.0 108.33 -175.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 73.8 mt -132.04 128.39 59.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 107.157 -1.423 . . . . 25.0 107.157 -178.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -92.58 163.01 27.07 Favored Glycine 0 N--CA 1.45 -0.387 0 CA-C-O 121.901 0.723 . . . . 25.0 113.334 -179.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 94.1 p -94.19 -177.56 4.33 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 123.834 0.854 . . . . 25.0 109.385 179.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -72.94 -15.25 61.57 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 115.897 1.814 . . . . 25.0 115.897 -176.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.6 m -83.28 166.57 2.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 109.189 -0.671 . . . . 25.0 109.189 177.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.33 137.94 28.48 Favored Glycine 0 CA--C 1.518 0.263 0 C-N-CA 120.526 -0.845 . . . . 25.0 111.09 178.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -144.67 165.4 28.14 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 117.493 0.646 . . . . 75.0 112.319 -173.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -119.74 115.94 24.92 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 106.37 -1.715 . . . . 25.0 106.37 173.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 37.8 mm -118.43 124.57 73.33 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 N-CA-C 109.56 -0.533 . . . . 25.0 109.56 -174.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.7 m -124.06 134.24 53.45 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 110.115 -0.328 . . . . 25.0 110.115 178.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -96.14 -21.8 21.77 Favored Glycine 0 CA--C 1.521 0.407 0 N-CA-C 116.838 1.495 . . . . 25.0 116.838 -174.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.71 -165.09 54.7 Favored Glycine 0 CA--C 1.525 0.709 0 CA-C-N 118.059 0.93 . . . . 25.0 112.589 -178.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.38 -179.87 2.65 Favored 'General case' 0 CA--C 1.535 0.396 0 O-C-N 121.766 -0.844 . . . . 25.0 109.36 177.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.51 170.86 40.62 Favored Glycine 0 C--O 1.243 0.675 0 C-N-CA 121.067 -0.587 . . . . 25.0 112.514 -178.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -91.38 117.39 29.63 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 108.538 -0.912 . . . . 25.0 108.538 -178.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -125.4 169.74 12.06 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 114.024 1.12 . . . . 50.0 114.024 -171.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 52.1 ttt180 -124.53 130.06 51.76 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 107.87 -1.159 . . . . 25.0 107.87 166.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.9 mp -125.45 105.11 8.82 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.295 -0.631 . . . . 25.0 109.295 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -103.4 135.84 44.26 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 106.255 -1.758 . . . . 25.0 106.255 175.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -98.22 -25.53 10.21 Favored Glycine 0 CA--C 1.52 0.397 0 N-CA-C 114.644 0.618 . . . . 25.0 114.644 -176.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 71.6 -159.58 53.85 Favored Glycine 0 C--O 1.243 0.697 0 N-CA-C 111.437 -0.665 . . . . 25.0 111.437 -177.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.86 175.98 6.79 Favored 'General case' 0 C--O 1.245 0.819 0 O-C-N 121.969 -0.724 . . . . 25.0 109.718 178.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.84 166.35 35.33 Favored Glycine 0 N--CA 1.452 -0.263 0 N-CA-C 110.271 -1.132 . . . . 25.0 110.271 -177.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -83.31 129.58 35.01 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 107.078 -1.453 . . . . 25.0 107.078 -179.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -131.41 149.99 52.32 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 113.634 0.976 . . . . 50.0 113.634 -171.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.2 mp -108.66 128.43 54.85 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 106.13 -1.804 . . . . 25.0 106.13 174.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 mp -128.82 117.73 21.56 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 112.157 0.428 . . . . 25.0 112.157 -176.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -115.31 105.9 13.4 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 121.212 0.53 . . . . 25.0 109.759 179.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -64.51 -40.01 97.31 Favored Glycine 0 C--O 1.249 1.058 0 N-CA-C 114.895 0.718 . . . . 25.0 114.895 -176.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.65 179.69 53.0 Favored Glycine 0 CA--C 1.517 0.21 0 N-CA-C 110.62 -0.992 . . . . 25.0 110.62 -177.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.43 157.62 10.9 Favored 'General case' 0 CA--C 1.545 0.75 0 O-C-N 121.905 -0.762 . . . . 25.0 110.538 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.96 166.85 41.8 Favored Glycine 0 C--O 1.243 0.687 0 N-CA-C 110.303 -1.119 . . . . 25.0 110.303 -176.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 -88.54 133.28 34.2 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 107.174 -1.417 . . . . 25.0 107.174 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -128.05 160.8 30.84 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-O 120.971 0.415 . . . . 50.0 110.539 -173.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -122.94 124.18 42.61 Favored 'General case' 0 CA--C 1.509 -0.61 0 N-CA-C 104.466 -2.42 . . . . 25.0 104.466 -178.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.3 mp -128.11 142.28 51.24 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 118.372 0.533 . . . . 25.0 111.649 -172.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.6 m -129.77 107.78 9.67 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.334 -0.617 . . . . 25.0 109.334 179.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -75.35 -39.57 35.73 Favored Glycine 0 C--O 1.241 0.55 0 C-N-CA 120.074 -1.06 . . . . 25.0 114.549 -175.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.03 -162.68 54.11 Favored Glycine 0 C--O 1.236 0.276 0 C-N-CA 121.123 -0.56 . . . . 25.0 112.448 -178.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.5 mt -64.92 160.4 20.68 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-O 120.897 0.379 . . . . 25.0 110.739 178.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 91.46 167.03 40.56 Favored Glycine 0 C--O 1.246 0.857 0 N-CA-C 110.275 -1.13 . . . . 25.0 110.275 -177.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.31 124.8 30.97 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 106.062 -1.829 . . . . 25.0 106.062 177.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -124.16 142.83 50.89 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.79 -0.448 . . . . 50.0 109.79 -175.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.8 t -120.92 135.78 55.11 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.868 0.842 . . . . 25.0 108.997 175.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -113.32 117.31 31.47 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 105.257 -2.127 . . . . 25.0 105.257 -178.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 52.6 ttt85 -123.9 144.83 49.53 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.019 0.914 . . . . 25.0 112.399 -171.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 29.3 p90 -72.84 137.21 45.57 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.486 -1.234 . . . . 25.0 109.503 175.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -98.16 -25.53 14.87 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 108.905 -0.776 . . . . 25.0 108.905 172.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.1 mp -137.48 164.33 28.95 Favored 'General case' 0 C--O 1.214 -0.777 0 N-CA-C 107.398 -1.334 . . . . 25.0 107.398 178.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 37.6 ptt180 -71.57 -14.9 62.23 Favored 'General case' 0 C--O 1.216 -0.694 0 CA-C-O 121.305 0.574 . . . . 25.0 110.913 173.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -103.6 12.04 35.41 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.678 -0.692 . . . . 25.0 109.868 -178.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -60.07 -35.1 74.43 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 116.132 -0.485 . . . . 25.0 110.744 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 39.8 m -139.39 109.79 6.57 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.781 -1.192 . . . . 25.0 107.781 175.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -153.69 153.45 32.28 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.693 -1.225 . . . . 25.0 107.693 -170.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -138.1 144.19 40.75 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 109.349 -0.611 . . . . 25.0 109.349 176.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 86.4 p -154.21 170.14 8.92 Favored Pre-proline 0 C--N 1.323 -0.559 0 N-CA-C 106.287 -1.746 . . . . 25.0 106.287 -178.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -69.48 -8.5 23.77 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 115.382 -2.612 . . . . 25.0 113.642 176.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 75.2 mt -79.4 -11.88 59.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.136 0.493 . . . . 25.0 110.737 177.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 145.16 174.88 17.82 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 121.119 -0.563 . . . . 25.0 113.006 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.0 t -108.14 141.22 40.19 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.592 0.71 . . . . 25.0 109.44 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -130.18 10.35 5.35 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 107.137 -1.431 . . . . 25.0 107.137 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 79.5 p -70.59 140.91 51.8 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-N 115.653 -0.703 . . . . 25.0 110.235 -177.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -88.91 152.1 21.93 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.272 0.558 . . . . 50.0 111.442 179.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.3 mp -121.92 128.32 51.42 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.77 -1.196 . . . . 25.0 107.77 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 12.1 mt -104.23 137.33 33.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 N-CA-C 105.409 -2.071 . . . . 25.0 105.409 175.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -89.63 -34.45 16.3 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.331 -0.85 . . . . 25.0 111.541 -173.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -139.11 119.64 13.97 Favored 'General case' 0 C--O 1.241 0.642 0 N-CA-C 107.276 -1.379 . . . . 25.0 107.276 -178.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -139.23 127.7 22.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.918 0.39 . . . . 25.0 110.047 -178.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -98.29 105.8 31.35 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.585 -0.734 . . . . 25.0 109.571 -179.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -69.54 -7.67 21.59 Favored 'Trans proline' 0 C--O 1.217 -0.544 0 C-N-CA 117.458 -1.228 . . . . 25.0 113.727 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 43.9 t -90.19 -10.84 42.95 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.211 0.448 . . . . 25.0 112.211 176.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 82.4 mm-40 -138.54 -28.21 0.83 Allowed 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 114.686 1.365 . . . . 25.0 114.686 -171.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -100.85 158.52 15.91 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.579 0.585 . . . . 50.0 112.579 -168.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 41.3 tptt -132.03 148.91 52.53 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.008 -0.542 . . . . 25.0 111.74 -174.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 45.8 mt -124.0 115.95 46.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 N-CA-C 109.676 -0.49 . . . . 25.0 109.676 176.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -94.62 116.51 28.85 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.655 -0.498 . . . . 25.0 109.655 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 22.2 m -124.3 28.09 2.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 CA-C-O 122.045 0.926 . . . . 25.0 109.591 -178.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.08 21.56 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 115.013 1.486 . . . . 25.0 115.013 -176.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.08 -40.43 90.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.556 0.693 . . . . 25.0 110.816 -178.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 18.3 mt -131.06 -42.43 1.09 Allowed 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 105.5 -2.037 . . . . 25.0 105.5 177.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 96.71 167.81 33.65 Favored Glycine 0 N--CA 1.447 -0.619 0 N-CA-C 108.483 -1.847 . . . . 25.0 108.483 -178.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -134.33 131.37 38.24 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 106.916 -1.513 . . . . 25.0 106.916 179.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 13.9 tt -81.84 -9.05 11.71 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 CA-C-O 121.576 0.703 . . . . 25.0 111.445 -173.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -156.98 167.01 33.69 Favored Glycine 0 CA--C 1.508 -0.4 0 N-CA-C 108.774 -1.73 . . . . 25.0 108.774 177.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 82.9 mt -120.53 4.63 10.65 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 113.769 1.026 . . . . 25.0 113.769 -175.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -110.17 -30.62 3.33 Favored Glycine 0 CA--C 1.528 0.863 0 N-CA-C 120.763 3.065 . . . . 25.0 120.763 -173.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -95.85 -26.08 15.77 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 116.039 1.866 . . . . 25.0 116.039 -169.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 77.95 4.71 86.2 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 115.621 1.008 . . . . 25.0 115.621 178.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -139.96 167.75 21.4 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 107.202 -1.407 . . . . 25.0 107.202 -179.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 54.02 44.53 29.18 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 121.514 0.673 . . . . 25.0 112.248 177.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 76.56 19.23 78.27 Favored Glycine 0 N--CA 1.452 -0.263 0 N-CA-C 114.653 0.621 . . . . 25.0 114.653 176.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 53.1 p -116.72 158.03 24.5 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 118.072 0.936 . . . . 25.0 110.223 178.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.3 mt -92.5 172.56 8.3 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.306 -0.998 . . . . 25.0 108.306 177.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -159.37 160.03 34.5 Favored 'General case' 0 C--O 1.244 0.769 0 N-CA-C 103.668 -2.716 . . . . 25.0 103.668 173.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 5.4 p -141.43 155.49 20.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.152 0.501 . . . . 25.0 111.466 -177.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 22.2 p -138.84 144.6 39.32 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 100.763 -3.791 . . . . 25.0 100.763 172.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.1 mt -127.58 153.08 46.83 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 118.033 2.605 . . . . 25.0 118.033 -166.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.0 t -68.18 47.15 0.05 OUTLIER 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 115.964 1.838 . . . . 25.0 115.964 173.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -55.36 -52.69 62.69 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.91 0.386 . . . . 25.0 111.037 -177.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -104.61 33.88 3.37 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.459 0.647 . . . . 25.0 109.769 179.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 79.01 17.6 76.62 Favored Glycine 0 CA--C 1.521 0.412 0 C-N-CA 120.779 -0.724 . . . . 25.0 112.041 -176.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 50.7 mt -70.05 -11.55 60.96 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 116.149 1.907 . . . . 25.0 116.149 -173.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 83.5 mtt-85 82.54 141.99 0.07 Allowed 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 126.389 1.875 . . . . 25.0 106.626 -177.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.405 ' HB ' ' HB2' ' A' ' 132' ' ' LEU . 88.5 m -103.91 132.95 49.67 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 107.031 -1.47 . . . . 25.0 107.031 -176.339 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -123.66 134.31 53.77 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.526 -0.916 . . . . 25.0 108.526 178.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.5 mp -110.76 126.99 55.17 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 104.729 -2.322 . . . . 25.0 104.729 178.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -130.49 132.92 45.89 Favored 'General case' 0 C--O 1.217 -0.622 0 CA-C-N 117.761 0.255 . . . . 25.0 111.342 -176.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 32.7 t -141.52 155.24 45.82 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.334 -0.987 . . . . 25.0 108.334 175.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -141.9 124.73 16.05 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.144 -1.058 . . . . 25.0 108.144 176.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.19 145.51 24.66 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 106.097 -1.816 . . . . 25.0 106.097 177.647 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -136.34 17.32 3.17 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.1 -0.704 . . . . 25.0 109.1 178.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -124.95 -41.03 2.12 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.87 -1.059 . . . . 25.0 113.084 -165.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -118.79 -26.27 6.12 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 113.241 0.83 . . . . 25.0 113.241 -176.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -132.09 -34.59 1.26 Allowed 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 113.918 1.081 . . . . 25.0 113.918 -174.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 69.21 36.7 80.08 Favored Glycine 0 CA--C 1.519 0.306 0 C-N-CA 121.047 -0.597 . . . . 25.0 112.093 -176.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 89.9 mmt-85 -134.79 160.45 38.15 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 117.723 0.762 . . . . 25.0 112.2 -174.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 46.3 m -92.42 134.38 35.0 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.75 -0.659 . . . . 25.0 110.239 177.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -125.75 119.17 27.23 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 105.965 -1.865 . . . . 25.0 105.965 178.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -141.08 152.33 44.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.872 -0.604 . . . . 25.0 109.774 -167.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.0 mp -140.58 166.89 23.5 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 108.364 -0.976 . . . . 25.0 108.364 -179.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -139.3 149.49 44.3 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.944 0.402 . . . . 25.0 111.54 176.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.405 ' HB2' ' HB ' ' A' ' 114' ' ' THR . 35.6 mt -131.04 112.94 13.35 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.429 -1.323 . . . . 25.0 107.429 175.388 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -92.02 157.48 16.76 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 104.267 -2.494 . . . . 25.0 104.267 177.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 59.39 18.0 41.67 Favored Glycine 0 C--O 1.22 -0.741 0 CA-C-O 121.811 0.673 . . . . 25.0 113.782 178.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -67.09 133.6 50.18 Favored 'General case' 0 N--CA 1.444 -0.733 0 O-C-N 122.353 -0.498 . . . . 25.0 111.765 -174.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -73.19 72.8 1.24 Allowed 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 123.161 0.584 . . . . 25.0 111.083 176.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -65.61 -25.14 67.25 Favored 'General case' 0 C--O 1.219 -0.503 0 N-CA-C 109.728 -0.471 . . . . 25.0 109.728 177.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.78 -25.84 67.72 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.247 -0.433 . . . . 25.0 111.676 177.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 42.9 p -127.26 36.61 4.39 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 109.823 -0.436 . . . . 25.0 109.823 178.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.8 pp -58.91 159.69 6.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.902 0.858 . . . . 25.0 112.195 -177.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 41.3 t -148.19 144.59 27.83 Favored 'General case' 0 CA--C 1.508 -0.659 0 N-CA-C 107.106 -1.442 . . . . 25.0 107.106 173.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -84.12 -15.86 45.73 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.308 0.575 . . . . 25.0 109.481 178.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -84.06 10.19 61.35 Favored Glycine 0 CA--C 1.52 0.39 0 N-CA-C 116.187 1.235 . . . . 25.0 116.187 -175.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -67.01 -22.6 65.89 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 118.406 1.103 . . . . 25.0 112.29 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 1.3 pp -79.11 159.19 4.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.394 0.616 . . . . 25.0 111.164 179.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 7.0 p -56.86 -25.14 21.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 N-CA-C 114.366 1.247 . . . . 25.0 114.366 -178.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -71.58 -22.2 61.77 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 121.81 -0.556 . . . . 25.0 111.972 -177.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . 52.71 -151.25 0.31 Allowed 'General case' 0 N--CA 1.466 0.333 0 O-C-N 123.642 0.589 . . . . 25.0 111.356 178.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . 57.92 17.82 4.58 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 115.008 1.485 . . . . 25.0 115.008 176.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -120.73 110.51 16.46 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.645 0.735 . . . . 25.0 111.147 -178.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 10.3 t -69.85 150.51 96.47 Favored Pre-proline 0 CA--C 1.539 0.552 0 CA-C-N 115.245 -0.889 . . . . 25.0 110.622 -179.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -71.27 170.35 18.51 Favored 'Trans proline' 0 C--N 1.352 0.721 0 C-N-CA 117.817 -0.989 . . . . 25.0 111.13 171.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.307 0 N-CA-C 105.703 -2.959 . . . . 25.0 105.703 178.369 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 206' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.694 0 CA-C-O 118.48 -0.772 . . . . 25.0 109.619 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 66.24 155.67 0.09 Allowed 'General case' 0 N--CA 1.477 0.906 0 O-C-N 125.031 1.457 . . . . 25.0 111.223 -174.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -95.71 165.68 24.71 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 121.069 -0.586 . . . . 25.0 113.09 -177.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.8 t -98.46 -175.03 2.98 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 104.628 -2.36 . . . . 25.0 104.628 173.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -84.89 2.63 41.78 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 121.075 -1.015 . . . . 25.0 112.492 -178.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -84.8 -172.19 48.89 Favored Glycine 0 CA--C 1.52 0.383 0 N-CA-C 108.97 -1.652 . . . . 25.0 108.97 170.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 38.7 m-20 -83.6 131.24 34.98 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 118.327 1.064 . . . . 25.0 108.407 178.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -127.72 158.72 36.87 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-O 120.985 0.421 . . . . 50.0 112.056 -177.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 84.8 t -123.93 115.93 46.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 104.787 -2.301 . . . . 25.0 104.787 168.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 66.7 mt -118.38 135.87 54.08 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.274 -1.009 . . . . 25.0 108.274 -176.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 71.1 mt -133.32 129.46 56.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 N-CA-C 108.275 -1.009 . . . . 25.0 108.275 -177.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -92.22 170.49 32.96 Favored Glycine 0 C--O 1.228 -0.265 0 CA-C-O 121.617 0.565 . . . . 25.0 114.175 -178.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.9 t -99.03 -175.46 3.04 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 123.468 0.707 . . . . 25.0 109.692 178.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -69.77 -25.91 64.03 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 113.22 0.822 . . . . 25.0 113.22 -177.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 32.9 m -72.6 163.9 3.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 110.103 -0.332 . . . . 25.0 110.103 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.49 136.75 22.59 Favored Glycine 0 CA--C 1.516 0.121 0 N-CA-C 110.555 -1.018 . . . . 25.0 110.555 177.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -141.16 164.88 29.07 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.405 0.622 . . . . 50.0 112.644 -173.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -121.49 118.22 28.79 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 105.663 -1.977 . . . . 25.0 105.663 173.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 57.0 mt -127.1 123.91 63.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 109.832 -0.433 . . . . 25.0 109.832 -172.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 62.8 p -118.4 135.82 54.12 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.005 0.431 . . . . 25.0 110.215 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -91.37 -24.74 25.63 Favored Glycine 0 CA--C 1.517 0.186 0 N-CA-C 115.369 0.908 . . . . 25.0 115.369 -176.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 73.94 -162.73 54.45 Favored Glycine 0 C--O 1.244 0.725 0 CA-C-N 117.729 0.764 . . . . 25.0 111.411 -176.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.4 179.35 3.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 117.857 0.828 . . . . 25.0 109.53 177.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.5 165.66 37.11 Favored Glycine 0 C--O 1.238 0.381 0 N-CA-C 112.042 -0.423 . . . . 25.0 112.042 -178.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -87.02 112.18 21.6 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 107.196 -1.409 . . . . 25.0 107.196 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -118.3 166.53 12.51 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 113.682 0.993 . . . . 50.0 113.682 -171.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.5 ttm180 -123.66 128.71 50.05 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 104.813 -2.292 . . . . 25.0 104.813 168.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.0 mp -121.79 140.84 51.85 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 104.922 -2.251 . . . . 25.0 104.922 177.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -134.14 133.73 41.36 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 104.46 -2.422 . . . . 25.0 104.46 174.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -95.73 -21.04 24.86 Favored Glycine 0 N--CA 1.447 -0.581 0 N-CA-C 111.625 -0.59 . . . . 25.0 111.625 -178.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 66.81 -156.36 51.61 Favored Glycine 0 C--O 1.243 0.694 0 N-CA-C 111.038 -0.825 . . . . 25.0 111.038 -175.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.17 173.61 9.18 Favored 'General case' 0 C--O 1.243 0.757 0 O-C-N 122.037 -0.684 . . . . 25.0 110.049 178.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 81.74 167.23 38.7 Favored Glycine 0 CA--C 1.51 -0.258 0 CA-C-N 115.844 -0.617 . . . . 25.0 111.712 -178.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -85.25 128.16 34.58 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 107.201 -1.407 . . . . 25.0 107.201 -178.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -132.58 153.32 51.12 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 114.026 1.121 . . . . 50.0 114.026 -171.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.2 mp -111.59 122.19 47.16 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 106.868 -1.53 . . . . 25.0 106.868 175.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.3 mp -124.08 124.3 42.22 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.106 0.41 . . . . 25.0 112.106 -177.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -113.02 119.87 39.39 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 116.218 -0.446 . . . . 25.0 110.021 178.459 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -74.5 -46.54 19.16 Favored Glycine 0 C--O 1.247 0.908 0 N-CA-C 115.733 1.053 . . . . 25.0 115.733 -176.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.2 -176.2 54.79 Favored Glycine 0 C--O 1.239 0.451 0 O-C-N 122.017 -0.696 . . . . 25.0 111.898 -177.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.85 155.37 16.46 Favored 'General case' 0 C--O 1.241 0.652 0 O-C-N 121.93 -0.747 . . . . 25.0 109.877 179.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.94 166.94 41.89 Favored Glycine 0 C--O 1.242 0.601 0 N-CA-C 110.806 -0.918 . . . . 25.0 110.806 -177.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.5 ptt180 -90.92 126.79 36.16 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 106.838 -1.542 . . . . 25.0 106.838 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -123.27 160.05 27.47 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-O 121.128 0.489 . . . . 50.0 111.411 -171.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -116.04 108.03 15.7 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 105.798 -1.927 . . . . 25.0 105.798 176.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.3 mt -103.48 97.97 7.93 Favored 'General case' 0 C--N 1.32 -0.678 0 O-C-N 123.746 0.654 . . . . 25.0 110.212 -173.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.9 m -92.48 114.48 27.04 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 108.481 -0.933 . . . . 25.0 108.481 -179.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -83.45 -38.71 10.5 Favored Glycine 0 C--O 1.24 0.475 0 C-N-CA 119.836 -1.173 . . . . 25.0 112.333 -177.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 72.63 -164.3 54.71 Favored Glycine 0 C--O 1.24 0.509 0 N-CA-C 110.939 -0.864 . . . . 25.0 110.939 -177.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.0 mt -65.9 156.72 32.6 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.113 0.482 . . . . 25.0 110.618 178.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.96 165.56 32.79 Favored Glycine 0 C--O 1.242 0.605 0 N-CA-C 110.627 -0.989 . . . . 25.0 110.627 -178.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.88 112.41 21.12 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 106.538 -1.653 . . . . 25.0 106.538 179.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -112.49 152.54 28.65 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.292 -0.413 . . . . 50.0 109.904 -174.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.2 t -125.99 136.17 52.68 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 108.904 -0.776 . . . . 25.0 108.904 174.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -112.36 125.78 54.56 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 106.417 -1.698 . . . . 25.0 106.417 -177.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 42.7 ttt-85 -121.16 148.84 43.68 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.533 0.682 . . . . 25.0 112.126 -171.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 52.2 p90 -76.24 146.95 38.66 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.074 -1.084 . . . . 25.0 108.074 171.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -119.85 -4.03 10.2 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.081 -0.711 . . . . 25.0 109.081 172.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.422 ' HG ' ' H ' ' A' ' 61' ' ' GLU . 26.4 tp -154.99 158.38 39.09 Favored 'General case' 0 C--O 1.221 -0.413 0 N-CA-C 108.726 -0.842 . . . . 25.0 108.726 -177.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 32.2 ptt85 -66.06 -26.13 67.35 Favored 'General case' 0 C--O 1.211 -0.922 0 O-C-N 122.029 -0.42 . . . . 25.0 110.319 174.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.422 ' H ' ' HG ' ' A' ' 59' ' ' LEU . 49.7 mt-10 -101.86 16.17 26.75 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.675 0.75 . . . . 25.0 111.802 -175.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -58.69 -30.9 67.74 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.67 -0.695 . . . . 25.0 111.638 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 45.4 m -127.33 48.88 2.16 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.369 0.668 . . . . 25.0 111.811 -178.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 15.3 t-160 -101.75 142.86 32.43 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 113.642 0.978 . . . . 25.0 113.642 -169.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -129.22 131.93 47.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.388 0.613 . . . . 25.0 109.419 170.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 91.2 p -121.03 166.33 16.17 Favored Pre-proline 0 C--N 1.319 -0.76 0 N-CA-C 106.058 -1.83 . . . . 25.0 106.058 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -71.23 -4.63 15.32 Favored 'Trans proline' 0 CA--C 1.533 0.474 0 C-N-CA 115.572 -2.485 . . . . 25.0 113.071 176.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 68.6 mt -102.58 -4.6 24.99 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 111.763 0.283 . . . . 25.0 111.763 -178.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 165.7 158.27 10.63 Favored Glycine 0 N--CA 1.458 0.133 0 C-N-CA 120.521 -0.847 . . . . 25.0 114.231 -178.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.4 t -112.75 134.13 54.42 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.454 0.645 . . . . 25.0 111.451 -179.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -128.34 15.45 6.65 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.234 -0.894 . . . . 25.0 108.697 -178.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 67.2 p -71.55 146.33 48.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.669 -0.696 . . . . 25.0 110.532 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -93.58 156.41 16.74 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 113.502 0.927 . . . . 50.0 113.502 -177.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.2 mp -117.47 131.55 56.71 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 105.552 -2.018 . . . . 25.0 105.552 175.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 31.0 mt -105.59 142.37 18.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 106.119 -1.808 . . . . 25.0 106.119 177.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -126.31 151.54 47.39 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 108.032 -1.099 . . . . 25.0 108.032 -174.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 54.73 44.6 28.27 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 122.243 1.02 . . . . 25.0 109.849 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -83.97 127.86 34.16 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.602 -1.181 . . . . 25.0 111.478 -178.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -102.56 101.09 18.19 Favored Pre-proline 0 C--N 1.322 -0.598 0 N-CA-C 108.372 -0.973 . . . . 25.0 108.372 178.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -69.01 -4.58 13.81 Favored 'Trans proline' 0 C--N 1.343 0.267 0 N-CA-C 115.16 1.177 . . . . 25.0 115.16 -178.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.7 t -98.74 -3.78 34.98 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 111.823 0.305 . . . . 25.0 111.823 176.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 44.8 mm-40 -140.91 -38.74 0.42 Allowed 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 114.792 1.404 . . . . 25.0 114.792 -173.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -81.41 158.84 24.47 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.864 0.364 . . . . 50.0 111.747 -172.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 27.6 tptt -132.91 152.98 51.81 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 111.877 0.325 . . . . 25.0 111.877 -178.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 20.8 mt -130.71 120.48 48.06 Favored 'Isoleucine or valine' 0 C--O 1.239 0.54 0 CA-C-O 120.853 0.358 . . . . 25.0 111.007 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.0 119.28 35.18 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.311 -0.626 . . . . 25.0 109.311 176.203 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.7 m -130.18 25.31 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 CA-C-O 122.225 1.012 . . . . 25.0 109.353 179.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.31 -13.52 19.79 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 115.323 1.601 . . . . 25.0 115.323 -174.307 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.96 -18.23 61.39 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 112.936 0.717 . . . . 25.0 112.936 178.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 24.2 mt -86.83 -53.27 5.01 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 107.182 -1.414 . . . . 25.0 107.182 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 81.44 161.59 27.61 Favored Glycine 0 C--O 1.224 -0.473 0 N-CA-C 109.238 -1.545 . . . . 25.0 109.238 -176.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -139.42 134.5 32.48 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 107.631 -1.248 . . . . 25.0 107.631 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 10.6 tp -106.58 -7.95 10.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.681 0.753 . . . . 25.0 111.171 -174.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -142.03 165.53 26.57 Favored Glycine 0 C--O 1.227 -0.315 0 C-N-CA 120.933 -0.651 . . . . 25.0 112.299 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 73.2 mt -63.48 -26.13 68.58 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 116.091 1.885 . . . . 25.0 116.091 -171.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 140.32 79.85 0.06 OUTLIER Glycine 0 C--O 1.226 -0.393 0 N-CA-C 117.864 1.905 . . . . 25.0 117.864 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -108.93 -11.19 15.02 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 116.968 0.384 . . . . 25.0 110.221 175.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 83.84 1.88 89.8 Favored Glycine 0 N--CA 1.461 0.336 0 N-CA-C 114.349 0.5 . . . . 25.0 114.349 -177.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.461 ' HA ' ' HB3' ' A' ' 119' ' ' TYR . 87.6 m-85 -139.77 152.83 46.9 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.786 -0.45 . . . . 25.0 109.786 -179.127 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 58.54 48.61 11.69 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 113.844 1.053 . . . . 25.0 113.844 176.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 76.34 31.55 54.38 Favored Glycine 0 CA--C 1.51 -0.248 0 C-N-CA 120.761 -0.733 . . . . 25.0 111.802 174.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 27.9 p -134.8 149.51 50.4 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 105.667 -1.975 . . . . 25.0 105.667 178.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.3 mt -94.97 150.24 20.38 Favored 'General case' 0 C--O 1.217 -0.629 0 N-CA-C 116.203 1.927 . . . . 25.0 116.203 -169.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -145.17 160.32 41.62 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 107.328 -1.36 . . . . 25.0 107.328 168.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 11.6 p -125.68 152.03 32.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 107.11 -1.441 . . . . 25.0 107.11 178.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 46.9 m -145.13 161.66 38.94 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 107.989 -1.115 . . . . 25.0 107.989 178.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 72.3 mt -127.85 162.05 27.59 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.82 -1.178 . . . . 25.0 107.82 178.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 83.9 p -77.02 171.35 14.94 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 106.398 -1.704 . . . . 25.0 106.398 170.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.24 -28.92 63.36 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 113.003 0.742 . . . . 25.0 113.003 -178.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -103.95 2.33 32.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.525 0.678 . . . . 25.0 110.467 -174.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 73.8 -1.48 45.96 Favored Glycine 0 C--O 1.222 -0.636 0 CA-C-N 115.671 -0.695 . . . . 25.0 113.452 -175.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 93.1 mt -70.78 -13.27 61.99 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 114.395 1.258 . . . . 25.0 114.395 -174.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 58.9 mtt85 -135.7 154.05 51.4 Favored 'General case' 0 CA--C 1.503 -0.859 0 N-CA-C 107.92 -1.141 . . . . 25.0 107.92 176.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 13.1 m -131.92 150.12 52.24 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 106.88 -1.526 . . . . 25.0 106.88 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -136.25 149.05 48.32 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.485 -0.932 . . . . 25.0 108.485 -178.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 49.4 mt -130.41 138.94 50.59 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.506 -1.294 . . . . 25.0 107.506 178.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 35.6 tttt -140.6 134.3 30.3 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 113.632 0.975 . . . . 25.0 113.632 -177.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 28.3 t -111.68 -36.91 5.33 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 123.794 0.684 . . . . 25.0 111.452 176.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.461 ' HB3' ' HA ' ' A' ' 99' ' ' TYR . 30.2 t80 47.66 63.58 1.95 Allowed 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.523 0.729 . . . . 25.0 112.63 179.369 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -61.41 136.09 57.92 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.64 -0.709 . . . . 25.0 111.684 -174.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -136.15 15.26 3.27 Favored 'General case' 0 C--O 1.22 -0.488 0 CA-C-O 122.185 0.993 . . . . 25.0 109.764 -179.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -61.45 -36.12 79.51 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 113.945 -1.48 . . . . 25.0 112.406 -174.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -156.78 -45.67 0.07 Allowed 'General case' 0 C--O 1.221 -0.422 0 N-CA-C 112.541 0.571 . . . . 25.0 112.541 178.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -92.38 -16.0 26.53 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 114.901 1.445 . . . . 25.0 114.901 -173.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 58.39 60.58 8.67 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 120.599 -0.81 . . . . 25.0 111.909 -178.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 89.3 mmt-85 -132.28 142.38 49.36 Favored 'General case' 0 CA--C 1.504 -0.813 0 N-CA-C 107.505 -1.295 . . . . 25.0 107.505 -177.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.421 ' HA ' ' HA ' ' A' ' 119' ' ' TYR . 9.3 t -86.52 145.85 26.62 Favored 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 119.704 -0.798 . . . . 25.0 109.045 -177.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -131.99 123.22 26.9 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 105.061 -2.2 . . . . 25.0 105.061 175.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -146.26 153.48 40.63 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.669 -1.15 . . . . 25.0 110.352 -168.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 5.3 mp -137.23 165.12 26.9 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 107.489 -1.3 . . . . 25.0 107.489 177.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -143.3 154.58 43.93 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.774 0.321 . . . . 25.0 110.292 176.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 40.4 mt -125.28 131.86 53.01 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 105.226 -2.139 . . . . 25.0 105.226 175.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -114.65 135.17 54.45 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 106.425 -1.694 . . . . 25.0 106.425 177.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 76.31 19.63 78.08 Favored Glycine 0 C--O 1.224 -0.479 0 C-N-CA 120.576 -0.821 . . . . 25.0 112.041 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -64.67 140.99 58.92 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 122.449 -0.442 . . . . 25.0 110.633 -179.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -76.16 78.02 2.98 Favored 'General case' 0 C--O 1.219 -0.549 0 N-CA-C 109.632 -0.507 . . . . 25.0 109.632 174.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -60.8 -29.08 69.23 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.23 0.538 . . . . 25.0 110.094 177.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -62.09 -27.07 68.66 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 115.716 -0.675 . . . . 25.0 111.981 177.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 76.6 p -125.09 28.61 6.34 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 111.97 0.359 . . . . 25.0 111.97 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.7 pp -63.37 154.38 32.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.554 0.692 . . . . 25.0 111.442 -177.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 47.5 t -146.19 153.5 40.7 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.285 -1.005 . . . . 25.0 108.285 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -82.8 11.95 5.37 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 112.702 0.631 . . . . 25.0 112.702 -178.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -103.79 10.16 52.33 Favored Glycine 0 C--O 1.221 -0.66 0 N-CA-C 115.771 1.068 . . . . 25.0 115.771 -176.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -61.34 -42.91 99.47 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 113.775 1.028 . . . . 25.0 113.775 -174.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 98.7 mt -80.71 148.69 5.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 107.422 -1.325 . . . . 25.0 107.422 -175.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 9.9 p -51.4 -33.97 14.8 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 N-CA-C 114.358 1.244 . . . . 25.0 114.358 -178.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -72.15 -28.61 63.35 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.888 0.329 . . . . 25.0 111.888 178.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . 55.78 -167.26 0.1 Allowed 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 114.238 1.199 . . . . 25.0 114.238 178.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . 53.74 25.92 5.51 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 116.045 1.868 . . . . 25.0 116.045 176.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -80.92 45.92 0.86 Allowed 'General case' 0 CA--C 1.545 0.775 0 CA-C-O 121.161 0.505 . . . . 25.0 111.294 178.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 12.5 t -72.75 145.15 86.62 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 116.037 -0.529 . . . . 25.0 111.588 -174.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -73.48 170.21 20.47 Favored 'Trans proline' 0 C--O 1.241 0.665 0 C-N-CA 116.588 -1.808 . . . . 25.0 109.997 169.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 117.676 -1.624 . . . . 25.0 109.051 174.889 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 206' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.846 0 N-CA-C 110.046 -0.353 . . . . 25.0 110.046 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -122.62 153.41 39.36 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 107.008 -1.478 . . . . 25.0 107.008 177.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -95.16 -179.1 37.2 Favored Glycine 0 N--CA 1.45 -0.377 0 CA-C-O 121.663 0.591 . . . . 25.0 113.019 -177.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 81.0 p -109.34 -177.16 3.22 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 105.605 -1.998 . . . . 25.0 105.605 176.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -87.87 6.1 37.14 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.854 0.835 . . . . 25.0 111.147 175.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -89.49 -165.24 40.83 Favored Glycine 0 CA--C 1.517 0.188 0 N-CA-C 108.685 -1.766 . . . . 25.0 108.685 171.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -90.2 125.94 35.65 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.342 -0.984 . . . . 25.0 108.342 178.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -123.52 154.06 39.71 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 121.155 0.502 . . . . 50.0 111.752 -177.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 92.2 t -126.52 111.05 24.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 104.427 -2.434 . . . . 25.0 104.427 169.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 85.3 mt -120.5 137.33 54.42 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.829 -0.169 . . . . 25.0 110.673 -175.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 80.1 mt -125.76 127.1 71.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 108.274 -1.01 . . . . 25.0 108.274 179.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -85.67 167.63 40.82 Favored Glycine 0 N--CA 1.452 -0.296 0 CA-C-O 121.652 0.585 . . . . 25.0 113.965 -178.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.1 t -94.96 -178.07 4.37 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 123.703 0.801 . . . . 25.0 110.125 179.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -74.16 -20.45 60.22 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 113.244 0.831 . . . . 25.0 113.244 -178.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.6 m -74.42 164.38 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 109.516 -0.55 . . . . 25.0 109.516 177.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.91 138.8 27.52 Favored Glycine 0 CA--C 1.518 0.221 0 N-CA-C 110.279 -1.128 . . . . 25.0 110.279 177.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -144.48 166.48 25.02 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 117.528 0.664 . . . . 50.0 112.558 -174.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -118.14 122.38 42.92 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 104.937 -2.246 . . . . 25.0 104.937 169.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 33.5 mm -118.38 130.52 73.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 106.97 -1.493 . . . . 25.0 106.97 -175.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 80.6 p -125.74 139.17 53.75 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 121.906 -0.496 . . . . 25.0 110.562 179.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -92.19 -35.08 6.81 Favored Glycine 0 C--O 1.227 -0.292 0 C-N-CA 121.087 -0.577 . . . . 25.0 113.82 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 71.42 -159.96 53.95 Favored Glycine 0 C--O 1.245 0.8 0 N-CA-C 110.378 -1.089 . . . . 25.0 110.378 -176.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.01 178.79 3.56 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 118.3 1.05 . . . . 25.0 108.584 175.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.12 167.03 37.21 Favored Glycine 0 C--O 1.243 0.71 0 C-N-CA 120.846 -0.692 . . . . 25.0 112.728 -179.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -92.48 110.88 22.3 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.366 -0.605 . . . . 25.0 109.366 -175.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -120.05 162.01 19.99 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 114.621 1.341 . . . . 50.0 114.621 -169.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 20.0 ttt85 -124.91 129.99 51.49 Favored 'General case' 0 CA--C 1.51 -0.586 0 N-CA-C 104.732 -2.321 . . . . 25.0 104.732 167.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 61.0 mt -125.66 133.81 52.06 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.062 -1.088 . . . . 25.0 108.062 -178.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -121.67 138.34 54.38 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 105.855 -1.906 . . . . 25.0 105.855 173.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -96.57 -26.31 10.96 Favored Glycine 0 C--N 1.32 -0.325 0 C-N-CA 121.472 -0.394 . . . . 25.0 112.598 -179.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 72.23 -160.38 54.03 Favored Glycine 0 C--O 1.245 0.785 0 N-CA-C 110.827 -0.909 . . . . 25.0 110.827 -176.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.5 175.38 7.09 Favored 'General case' 0 C--O 1.245 0.851 0 O-C-N 122.239 -0.565 . . . . 25.0 109.707 178.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.33 167.92 34.8 Favored Glycine 0 C--O 1.241 0.541 0 N-CA-C 110.565 -1.014 . . . . 25.0 110.565 -177.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -82.58 136.19 34.88 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 106.934 -1.506 . . . . 25.0 106.934 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -137.55 150.5 47.53 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 113.644 0.979 . . . . 50.0 113.644 -173.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.2 mp -109.15 130.49 55.48 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 105.453 -2.055 . . . . 25.0 105.453 175.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.7 mp -131.44 111.33 11.71 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 112.613 0.597 . . . . 25.0 112.613 -177.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -97.64 127.38 43.55 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 122.462 0.305 . . . . 25.0 111.322 179.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -81.94 -55.81 3.05 Favored Glycine 0 C--O 1.251 1.162 0 N-CA-C 116.24 1.256 . . . . 25.0 116.24 -177.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.24 -173.68 55.27 Favored Glycine 0 C--O 1.24 0.517 0 O-C-N 122.25 -0.559 . . . . 25.0 112.241 -177.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.68 162.99 12.17 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 122.288 -0.536 . . . . 25.0 110.682 178.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 85.13 168.11 44.22 Favored Glycine 0 N--CA 1.463 0.468 0 N-CA-C 110.871 -0.891 . . . . 25.0 110.871 -177.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.0 ptp85 -85.8 127.61 34.6 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 118.345 1.072 . . . . 25.0 108.703 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -122.68 148.72 44.96 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 116.143 -0.48 . . . . 50.0 110.715 -173.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? -124.31 103.35 8.17 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 106.119 -1.808 . . . . 25.0 106.119 -178.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.9 mp -108.23 117.19 33.49 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.502 -0.317 . . . . 25.0 111.603 -169.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.7 m -108.71 115.91 30.98 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 122.568 0.347 . . . . 25.0 110.423 -178.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -80.59 -42.03 10.56 Favored Glycine 0 C--O 1.244 0.738 0 C-N-CA 120.01 -1.09 . . . . 25.0 114.326 -176.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 72.71 -163.6 54.8 Favored Glycine 0 CA--C 1.52 0.361 0 N-CA-C 111.119 -0.792 . . . . 25.0 111.119 -177.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 95.5 mt -64.87 158.0 26.37 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-O 121.004 0.43 . . . . 25.0 111.003 178.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 92.22 167.98 40.09 Favored Glycine 0 C--O 1.246 0.893 0 N-CA-C 110.413 -1.075 . . . . 25.0 110.413 -177.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -84.6 123.41 30.29 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 106.51 -1.663 . . . . 25.0 106.51 178.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -121.08 150.02 41.84 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.373 -0.603 . . . . 50.0 109.373 -175.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.7 t -126.25 129.46 48.97 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.741 -0.837 . . . . 25.0 108.741 174.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -107.2 130.86 54.67 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 105.98 -1.859 . . . . 25.0 105.98 -176.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 52.2 ttt180 -127.3 140.03 52.49 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 113.935 1.087 . . . . 25.0 113.935 -169.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -90.26 150.63 21.87 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 114.743 -1.117 . . . . 25.0 108.84 176.133 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -101.73 -44.57 5.51 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.45 -0.574 . . . . 25.0 109.45 177.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 41.0 tp -140.42 158.69 43.62 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 105.987 -1.856 . . . . 25.0 105.987 178.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 39.9 ptt180 -61.17 -20.84 63.2 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-O 121.346 0.593 . . . . 25.0 111.776 179.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -83.27 3.73 30.04 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.826 -0.625 . . . . 25.0 111.163 -178.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -61.38 -32.09 72.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.448 -0.342 . . . . 25.0 110.09 175.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.7 p -131.55 93.58 3.36 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.492 0.663 . . . . 25.0 109.44 -177.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 49.4 t-80 -138.01 153.4 49.4 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.752 -0.658 . . . . 25.0 109.691 -173.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 -132.73 153.56 51.05 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 108.955 -0.757 . . . . 25.0 108.955 175.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 89.1 p -151.08 166.63 14.67 Favored Pre-proline 0 C--N 1.322 -0.599 0 N-CA-C 106.723 -1.584 . . . . 25.0 106.723 -176.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -70.01 -11.32 30.28 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 115.946 -2.236 . . . . 25.0 112.975 176.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 83.1 mt -88.54 -3.02 58.9 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 122.304 0.242 . . . . 25.0 111.496 179.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 144.72 172.25 15.11 Favored Glycine 0 C--O 1.235 0.203 0 C-N-CA 120.754 -0.736 . . . . 25.0 114.073 179.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.8 t -107.2 141.24 38.8 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.289 0.566 . . . . 25.0 111.014 -178.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -128.59 16.95 6.43 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 106.039 -1.837 . . . . 25.0 106.039 177.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 46.4 t -66.33 145.91 55.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.498 -1.228 . . . . 25.0 109.64 -178.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -98.74 148.75 23.55 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.337 -0.392 . . . . 50.0 111.593 -178.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.6 mp -118.11 131.21 56.44 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 106.946 -1.501 . . . . 25.0 106.946 177.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 52.8 mt -106.63 142.23 19.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 N-CA-C 102.839 -3.023 . . . . 25.0 102.839 169.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 40.5 mt -122.48 141.05 52.05 Favored 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 108.812 -0.81 . . . . 25.0 108.812 -172.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 54.68 47.78 21.76 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 122.284 1.04 . . . . 25.0 111.618 174.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -79.42 133.8 36.55 Favored 'General case' 0 C--O 1.241 0.635 0 CA-C-N 114.736 -1.12 . . . . 25.0 111.46 -177.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -98.43 103.11 16.65 Favored Pre-proline 0 N--CA 1.467 0.419 0 CA-C-N 116.183 -0.462 . . . . 25.0 110.066 177.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -73.17 8.27 1.82 Allowed 'Trans proline' 0 CA--C 1.536 0.585 0 N-CA-C 115.004 1.117 . . . . 25.0 115.004 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 19.9 t -107.76 -7.71 16.27 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 115.864 -0.607 . . . . 25.0 110.451 177.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 25.4 mm-40 -141.39 -33.86 0.5 Allowed 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 114.538 1.311 . . . . 25.0 114.538 -174.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -91.71 157.49 16.9 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.289 0.566 . . . . 50.0 112.091 -170.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -135.18 154.61 51.56 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.899 -0.591 . . . . 25.0 110.218 -175.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 42.7 mt -121.64 117.33 52.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 107.769 -1.197 . . . . 25.0 107.769 176.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -86.14 111.76 20.67 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.062 -0.718 . . . . 25.0 109.062 -179.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 23.8 m -132.51 160.1 42.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 108.517 -0.92 . . . . 25.0 108.517 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 48.4 t -156.87 -73.41 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.833 0.309 . . . . 25.0 111.833 178.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -76.87 41.48 0.28 Allowed 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 115.174 1.546 . . . . 25.0 115.174 -174.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 15.6 mt -105.72 -41.98 5.3 Favored 'General case' 0 C--O 1.218 -0.563 0 N-CA-C 106.895 -1.521 . . . . 25.0 106.895 176.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 61.42 31.52 77.72 Favored Glycine 0 C--O 1.224 -0.517 0 N-CA-C 116.752 1.461 . . . . 25.0 116.752 172.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -61.42 126.28 26.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 118.331 1.066 . . . . 25.0 110.315 -178.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 12.3 tt -87.75 -7.14 10.89 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 CA-C-N 115.545 -0.752 . . . . 25.0 112.918 -171.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -175.42 -177.96 44.89 Favored Glycine 0 C--O 1.226 -0.386 0 C-N-CA 119.95 -1.119 . . . . 25.0 113.643 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 85.0 mt -119.0 11.87 12.6 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.139 0.576 . . . . 25.0 112.402 -176.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -68.16 -91.58 0.06 OUTLIER Glycine 0 CA--C 1.526 0.731 0 N-CA-C 119.179 2.432 . . . . 25.0 119.179 -173.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -103.92 -1.85 27.05 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 115.753 1.76 . . . . 25.0 115.753 -165.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 77.66 16.27 80.36 Favored Glycine 0 C--N 1.321 -0.268 0 C-N-CA 119.969 -1.11 . . . . 25.0 113.097 -177.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -137.82 166.5 23.85 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.186 -1.042 . . . . 25.0 108.186 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 53.26 42.16 32.11 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.247 0.619 . . . . 25.0 111.88 178.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 80.63 3.46 90.21 Favored Glycine 0 C--O 1.225 -0.431 0 C-N-CA 120.966 -0.635 . . . . 25.0 114.654 177.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 63.4 p -100.02 158.83 15.55 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 118.388 1.094 . . . . 25.0 109.072 178.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 14.2 mt -94.54 171.49 8.77 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 123.534 0.734 . . . . 25.0 109.309 177.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -149.03 153.31 37.69 Favored 'General case' 0 C--O 1.24 0.596 0 N-CA-C 101.158 -3.645 . . . . 25.0 101.158 170.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 9.0 p -140.05 153.92 22.97 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 N-CA-C 113.189 0.811 . . . . 25.0 113.189 -173.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 50.1 m -138.43 148.36 44.34 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 102.196 -3.261 . . . . 25.0 102.196 171.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.7 mp -134.94 150.4 50.38 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 114.738 1.384 . . . . 25.0 114.738 -171.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.7 t -66.47 39.12 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 115.659 1.726 . . . . 25.0 115.659 171.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -70.04 -27.66 64.84 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.184 -1.043 . . . . 25.0 108.184 178.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 52.0 p-10 -102.8 10.86 38.22 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.437 -1.256 . . . . 25.0 109.964 177.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 83.02 -1.54 88.5 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 115.434 0.934 . . . . 25.0 115.434 -179.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 78.1 mt -93.42 21.35 6.23 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 117.434 2.383 . . . . 25.0 117.434 -172.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 64.9 mtt85 88.04 153.18 0.06 Allowed 'General case' 0 N--CA 1.499 1.977 0 C-N-CA 125.892 1.677 . . . . 25.0 110.515 169.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 29.1 m -99.95 138.71 36.66 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 107.027 -1.472 . . . . 25.0 107.027 -178.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -132.31 141.13 48.84 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 108.01 -1.107 . . . . 25.0 108.01 178.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 5.1 mp -126.41 129.29 48.46 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 106.432 -1.692 . . . . 25.0 106.432 -179.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -128.98 133.7 47.88 Favored 'General case' 0 C--N 1.322 -0.605 0 O-C-N 122.931 0.144 . . . . 25.0 110.787 -176.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.0 t -143.41 157.13 44.71 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.173 -1.047 . . . . 25.0 108.173 174.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -140.94 128.37 21.21 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 106.44 -1.689 . . . . 25.0 106.44 176.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -121.18 143.04 49.34 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 109.238 -0.652 . . . . 25.0 109.238 -176.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -112.19 0.48 15.84 Favored 'General case' 0 CA--C 1.512 -0.481 0 N-CA-C 114.362 1.245 . . . . 25.0 114.362 -178.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.418 ' C ' ' H ' ' A' ' 124' ' ' GLN . 26.1 m-20 -78.77 -33.88 46.09 Favored 'General case' 0 C--N 1.309 -1.181 0 N-CA-C 106.832 -1.544 . . . . 25.0 106.832 177.616 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -79.22 21.39 0.46 Allowed 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 115.481 -0.781 . . . . 25.0 110.823 171.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . 0.418 ' H ' ' C ' ' A' ' 122' ' ' ASP . 0.1 OUTLIER 64.22 28.99 14.0 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.278 1.031 . . . . 25.0 112.524 -179.026 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 93.67 80.06 1.46 Allowed Glycine 0 N--CA 1.46 0.294 0 N-CA-C 114.593 0.597 . . . . 25.0 114.593 174.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -133.26 147.14 51.93 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 122.433 -0.451 . . . . 25.0 111.408 -178.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 47.7 m -98.1 120.92 39.34 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.183 -0.462 . . . . 25.0 109.754 176.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -113.36 109.0 18.0 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 106.414 -1.699 . . . . 25.0 106.414 177.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -136.05 145.76 46.35 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.094 -0.503 . . . . 25.0 110.676 -169.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.8 mp -136.0 166.99 22.06 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.399 0.68 . . . . 25.0 109.873 -176.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -143.29 153.54 42.86 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.673 -0.492 . . . . 25.0 109.673 175.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 13.1 mt -140.72 112.55 7.61 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 108.427 -0.953 . . . . 25.0 108.427 178.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -99.75 155.05 17.84 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.186 -0.672 . . . . 25.0 109.186 -175.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 60.52 27.11 65.44 Favored Glycine 0 C--O 1.221 -0.665 0 C-N-CA 120.906 -0.664 . . . . 25.0 113.157 174.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -84.7 142.94 29.52 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 122.2 -0.588 . . . . 25.0 110.115 -176.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 70.9 m80 -76.55 76.31 3.25 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.386 -0.824 . . . . 25.0 109.915 176.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -64.14 -26.41 68.52 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.062 -0.517 . . . . 25.0 109.72 178.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.65 -26.36 67.96 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.115 -0.493 . . . . 25.0 110.885 176.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 71.1 p -125.28 36.62 4.54 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.756 -0.202 . . . . 25.0 110.561 178.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.8 pp -60.11 153.71 21.17 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.286 0.565 . . . . 25.0 110.775 -177.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 90.8 p -149.31 159.39 44.31 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.653 -0.869 . . . . 25.0 108.653 -179.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -98.62 -6.61 29.53 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 121.206 0.527 . . . . 25.0 110.482 178.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -79.9 0.95 81.18 Favored Glycine 0 C--O 1.221 -0.704 0 CA-C-N 116.162 -0.472 . . . . 25.0 114.156 -176.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -71.88 -14.74 62.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.311 0.577 . . . . 25.0 111.436 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 62.8 mt -85.6 131.44 34.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 105.818 -1.919 . . . . 25.0 105.818 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 10.0 p -55.46 -20.9 8.25 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.773 0 N-CA-C 114.677 1.362 . . . . 25.0 114.677 -177.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -71.39 -27.0 63.02 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 121.552 -0.717 . . . . 25.0 111.506 178.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . 52.2 -157.07 0.14 Allowed 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.632 0.773 . . . . 25.0 111.716 -178.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . 50.84 30.84 5.44 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 115.214 1.561 . . . . 25.0 115.214 176.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -64.46 129.93 41.76 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.136 -0.69 . . . . 25.0 109.136 179.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 7.5 t -74.96 145.59 81.35 Favored Pre-proline 0 C--O 1.24 0.605 0 N-CA-C 108.967 -0.753 . . . . 25.0 108.967 -178.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -77.09 -175.77 2.83 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 118.718 -0.388 . . . . 25.0 111.55 177.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.306 0 N-CA-C 106.108 -2.797 . . . . 25.0 106.108 175.864 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 206' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 118.137 -0.935 . . . . 25.0 109.425 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 26.5 pt20 46.87 -161.79 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.956 0 O-C-N 124.91 1.381 . . . . 25.0 112.029 -174.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -84.78 162.43 37.46 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.93 -0.653 . . . . 25.0 113.888 -175.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.5 t -137.94 -170.0 2.68 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 106.329 -1.73 . . . . 25.0 106.329 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -69.34 147.29 51.3 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.991 -0.744 . . . . 25.0 108.991 177.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 97.26 -174.43 29.79 Favored Glycine 0 CA--C 1.517 0.167 0 N-CA-C 108.587 -1.805 . . . . 25.0 108.587 -172.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 36.4 m-20 -93.45 134.41 35.73 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 118.347 1.074 . . . . 25.0 110.73 -175.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -126.18 154.21 43.56 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.024 0.44 . . . . 50.0 111.196 -179.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 96.9 t -124.93 113.53 36.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 104.758 -2.312 . . . . 25.0 104.758 170.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 43.1 mt -121.38 133.16 55.09 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.817 -0.809 . . . . 25.0 108.817 -173.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 77.5 mt -132.7 127.0 55.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 107.748 -1.204 . . . . 25.0 107.748 179.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -89.15 -174.98 46.56 Favored Glycine 0 N--CA 1.452 -0.265 0 CA-C-O 121.836 0.687 . . . . 25.0 113.675 -178.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 88.0 p -116.67 -177.02 3.09 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 123.593 0.757 . . . . 25.0 109.35 -178.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -72.31 -14.22 61.69 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 115.618 1.71 . . . . 25.0 115.618 -175.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.8 m -83.06 166.96 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 N-CA-C 109.197 -0.668 . . . . 25.0 109.197 177.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.62 135.72 22.32 Favored Glycine 0 CA--C 1.515 0.078 0 N-CA-C 110.893 -0.883 . . . . 25.0 110.893 178.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -141.61 161.74 37.2 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.232 0.539 . . . . 50.0 112.1 -173.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -119.08 119.32 33.87 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 106.012 -1.847 . . . . 25.0 106.012 172.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 68.9 mt -128.88 127.51 66.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 109.269 -0.641 . . . . 25.0 109.269 -174.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 99.0 p -121.44 142.7 49.78 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.354 -0.609 . . . . 25.0 109.354 174.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -94.29 -22.9 23.52 Favored Glycine 0 C--O 1.235 0.202 0 C-N-CA 121.271 -0.49 . . . . 25.0 112.631 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 71.91 -157.97 53.24 Favored Glycine 0 C--O 1.244 0.719 0 C-N-CA 121.013 -0.613 . . . . 25.0 111.962 -178.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.43 170.1 13.95 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.111 -0.7 . . . . 25.0 109.111 178.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.37 171.53 48.23 Favored Glycine 0 C--O 1.238 0.394 0 N-CA-C 111.581 -0.607 . . . . 25.0 111.581 -179.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -90.77 118.4 30.16 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 107.637 -1.246 . . . . 25.0 107.637 -178.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -126.59 158.09 37.16 Favored 'General case' 0 C--O 1.24 0.581 0 N-CA-C 113.293 0.849 . . . . 50.0 113.293 -171.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 56.6 ttt85 -110.1 129.89 55.62 Favored 'General case' 0 CA--C 1.509 -0.624 0 N-CA-C 105.139 -2.171 . . . . 25.0 105.139 164.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.8 mp -116.03 140.5 49.21 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 103.335 -2.839 . . . . 25.0 103.335 172.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -141.05 131.54 25.34 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 104.745 -2.317 . . . . 25.0 104.745 177.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -101.34 -22.42 10.55 Favored Glycine 0 C--N 1.319 -0.403 0 N-CA-C 114.124 0.41 . . . . 25.0 114.124 -173.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 64.67 -155.93 47.1 Favored Glycine 0 C--O 1.245 0.834 0 C-N-CA 120.536 -0.84 . . . . 25.0 111.307 -174.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.33 174.92 8.16 Favored 'General case' 0 C--O 1.242 0.67 0 O-C-N 121.696 -0.885 . . . . 25.0 110.788 179.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 81.63 163.75 32.02 Favored Glycine 0 C--O 1.234 0.103 0 N-CA-C 110.468 -1.053 . . . . 25.0 110.468 -177.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -81.45 132.47 35.32 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 106.781 -1.563 . . . . 25.0 106.781 -179.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -134.52 153.89 51.72 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 113.604 0.964 . . . . 50.0 113.604 -172.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.7 mp -110.94 125.41 53.66 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.268 -1.382 . . . . 25.0 107.268 175.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.6 mp -125.16 108.39 11.73 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.177 0.513 . . . . 25.0 112.123 -176.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -96.92 105.76 17.96 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 109.525 -0.546 . . . . 25.0 109.525 177.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -62.59 -44.34 97.68 Favored Glycine 0 C--O 1.246 0.859 0 C-N-CA 120.481 -0.866 . . . . 25.0 113.358 -177.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.31 174.15 45.4 Favored Glycine 0 CA--C 1.518 0.257 0 O-C-N 122.136 -0.626 . . . . 25.0 111.759 -179.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.6 152.95 11.05 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 122.133 -0.628 . . . . 25.0 110.233 178.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 94.96 170.39 36.78 Favored Glycine 0 C--O 1.24 0.521 0 N-CA-C 110.08 -1.208 . . . . 25.0 110.08 -175.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.2 ptp85 -91.56 133.18 35.75 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 106.791 -1.559 . . . . 25.0 106.791 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -131.68 162.48 30.33 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 112.647 0.61 . . . . 50.0 112.647 -171.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -121.99 110.4 15.77 Favored 'General case' 0 CA--C 1.511 -0.533 0 N-CA-C 106.135 -1.802 . . . . 25.0 106.135 176.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.5 mp -107.98 105.67 15.55 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.343 -0.614 . . . . 25.0 109.343 -173.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.6 m -97.01 113.44 24.98 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.296 -1.001 . . . . 25.0 108.296 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -81.57 -39.81 11.78 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 119.658 -1.258 . . . . 25.0 112.786 -176.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.464 ' H ' ' HB2' ' A' ' 77' ' ' ASP . . . 74.64 -164.17 54.54 Favored Glycine 0 C--O 1.243 0.716 0 N-CA-C 111.04 -0.824 . . . . 25.0 111.04 -177.323 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.9 mp -63.88 154.09 34.84 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.39 -0.596 . . . . 25.0 109.39 178.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 95.86 166.08 34.45 Favored Glycine 0 C--O 1.244 0.735 0 N-CA-C 111.272 -0.731 . . . . 25.0 111.272 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -82.1 120.38 25.24 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 106.449 -1.686 . . . . 25.0 106.449 178.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -119.79 144.21 47.43 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 109.375 -0.602 . . . . 50.0 109.375 -175.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 6.8 t -114.35 128.03 56.15 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.362 -0.977 . . . . 25.0 108.362 175.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -109.21 121.52 45.34 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 105.714 -1.958 . . . . 25.0 105.714 -177.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 75.2 ttt-85 -132.67 146.39 51.83 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 114.559 1.318 . . . . 25.0 114.559 -163.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 35.0 p90 -77.12 152.35 34.97 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.016 -0.993 . . . . 25.0 111.28 176.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -108.18 -28.67 9.35 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 109.144 -0.687 . . . . 25.0 109.144 169.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -133.87 163.73 28.85 Favored 'General case' 0 C--O 1.214 -0.787 0 N-CA-C 106.787 -1.56 . . . . 25.0 106.787 178.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.22 -14.25 62.53 Favored 'General case' 0 C--O 1.212 -0.872 0 O-C-N 121.609 -0.682 . . . . 25.0 111.827 175.138 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -102.84 12.32 36.34 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.134 0.574 . . . . 25.0 111.216 -178.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -53.82 -36.21 62.27 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 113.814 1.042 . . . . 25.0 113.814 -175.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.8 p -142.45 100.59 3.72 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.887 -0.783 . . . . 25.0 108.887 178.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 36.0 p-80 -140.93 169.87 16.81 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.449 -0.341 . . . . 25.0 110.555 -176.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -135.88 149.68 49.09 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.724 -1.214 . . . . 25.0 107.724 176.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 99.3 p -155.21 170.67 8.3 Favored Pre-proline 0 C--N 1.321 -0.638 0 N-CA-C 106.016 -1.846 . . . . 25.0 106.016 -176.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -70.3 -8.16 22.95 Favored 'Trans proline' 0 CA--C 1.537 0.644 0 C-N-CA 115.115 -2.79 . . . . 25.0 113.579 176.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.9 mp -77.31 -11.92 59.89 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 109.75 -0.463 . . . . 25.0 109.75 175.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 141.59 175.3 15.0 Favored Glycine 0 N--CA 1.451 -0.302 0 CA-C-O 121.967 0.76 . . . . 25.0 112.929 178.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.5 t -97.55 131.48 44.11 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.94 -0.763 . . . . 25.0 108.94 177.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -126.18 22.38 7.23 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 107.46 -1.311 . . . . 25.0 107.46 -179.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 68.3 p -72.72 152.31 41.73 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.271 -0.877 . . . . 25.0 110.916 -178.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -96.24 155.42 16.77 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.201 -0.454 . . . . 50.0 109.832 177.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.6 mp -123.38 131.27 53.6 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 106.818 -1.549 . . . . 25.0 106.818 177.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 61.5 mt -108.0 144.88 15.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 106.538 -1.653 . . . . 25.0 106.538 -178.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -124.67 152.98 42.99 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 108.013 -1.106 . . . . 25.0 108.013 -175.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.464 ' HB2' ' H ' ' A' ' 49' ' ' GLY . 65.7 m-20 56.58 44.44 23.98 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-O 122.119 0.961 . . . . 25.0 110.137 178.616 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -83.74 123.94 30.37 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.674 -1.148 . . . . 25.0 112.174 -177.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -95.89 104.94 18.3 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.154 -0.93 . . . . 25.0 108.778 177.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_endo -69.64 -6.0 17.48 Favored 'Trans proline' 0 C--N 1.345 0.38 0 N-CA-C 115.095 1.152 . . . . 25.0 115.095 -177.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.1 m -101.66 -2.24 30.81 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.598 0.592 . . . . 25.0 112.598 178.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -142.11 -38.17 0.38 Allowed 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 115.158 1.54 . . . . 25.0 115.158 -174.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -77.36 157.5 30.61 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.327 0.585 . . . . 50.0 111.589 -172.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 22.6 tptt -129.55 151.57 50.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.505 . . . . 25.0 111.783 -176.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 33.1 mt -128.66 115.94 39.32 Favored 'Isoleucine or valine' 0 C--O 1.245 0.868 0 N-CA-C 109.699 -0.482 . . . . 25.0 109.699 179.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -88.72 112.97 23.78 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.497 -0.557 . . . . 25.0 109.497 178.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 16.4 m -130.11 29.16 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 107.693 -1.225 . . . . 25.0 107.693 175.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.21 -8.7 18.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.661 -1.154 . . . . 25.0 113.515 -177.662 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.25 -17.24 63.74 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.217 0.451 . . . . 25.0 112.217 177.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 15.5 mt -116.07 -58.4 2.11 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.728 0.775 . . . . 25.0 109.669 -176.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 77.03 177.12 45.03 Favored Glycine 0 CA--C 1.518 0.237 0 N-CA-C 108.587 -1.805 . . . . 25.0 108.587 -172.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -142.28 137.53 30.7 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.477 -0.934 . . . . 25.0 108.477 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 7.8 tp -94.69 -10.36 9.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.384 0.612 . . . . 25.0 111.199 -174.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -148.51 165.19 29.1 Favored Glycine 0 C--O 1.228 -0.241 0 C-N-CA 120.764 -0.731 . . . . 25.0 113.065 -178.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 77.2 mt -63.08 -28.63 70.21 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 116.577 2.066 . . . . 25.0 116.577 -171.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 147.34 87.21 0.07 OUTLIER Glycine 0 C--O 1.22 -0.736 0 N-CA-C 119.991 2.756 . . . . 25.0 119.991 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -118.95 1.14 11.45 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.007 0.523 . . . . 25.0 109.874 173.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 76.04 -8.37 23.81 Favored Glycine 0 N--CA 1.463 0.434 0 N-CA-C 116.286 1.274 . . . . 25.0 116.286 -178.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -141.42 167.76 21.39 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 107.779 -1.193 . . . . 25.0 107.779 -176.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 55.6 50.97 13.38 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.391 0.676 . . . . 25.0 111.409 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 71.52 25.68 74.75 Favored Glycine 0 C--O 1.226 -0.365 0 CA-C-N 115.665 -0.698 . . . . 25.0 114.475 174.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 34.7 p -127.58 166.6 17.73 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.101 -0.703 . . . . 25.0 109.101 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -102.2 168.57 9.27 Favored 'General case' 0 C--O 1.213 -0.849 0 N-CA-C 112.774 0.657 . . . . 25.0 112.774 -174.555 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -147.58 142.86 27.29 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 104.105 -2.554 . . . . 25.0 104.105 170.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 12.6 p -128.55 146.65 33.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 107.359 -1.348 . . . . 25.0 107.359 -179.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 56.4 p -149.2 164.14 35.62 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 106.842 -1.54 . . . . 25.0 106.842 178.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 54.4 mt -131.22 164.17 26.14 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.421 -0.955 . . . . 25.0 108.421 -176.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 84.3 p -75.36 171.74 13.7 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 106.508 -1.664 . . . . 25.0 106.508 169.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.84 -27.44 63.2 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 113.347 0.869 . . . . 25.0 113.347 -178.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -101.43 -1.36 33.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.39 0.614 . . . . 25.0 110.236 -175.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 72.48 2.63 55.8 Favored Glycine 0 CA--C 1.521 0.407 0 CA-C-N 115.787 -0.642 . . . . 25.0 112.787 -174.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 93.6 mt -77.43 -7.83 56.77 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 113.379 0.881 . . . . 25.0 113.379 -174.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -138.59 148.26 43.94 Favored 'General case' 0 CA--C 1.506 -0.73 0 N-CA-C 106.684 -1.599 . . . . 25.0 106.684 177.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 17.2 m -128.77 143.52 50.94 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 108.291 -1.003 . . . . 25.0 108.291 -178.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -127.93 138.47 52.65 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.297 -1.001 . . . . 25.0 108.297 178.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 68.6 mt -119.62 130.27 55.02 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 107.255 -1.387 . . . . 25.0 107.255 -178.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.69 133.49 43.6 Favored 'General case' 0 C--O 1.217 -0.654 0 N-CA-C 110.205 -0.294 . . . . 25.0 110.205 -179.342 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 39.0 t -144.72 155.55 43.62 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 106.789 -1.56 . . . . 25.0 106.789 174.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -137.84 101.58 4.49 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 106.415 -1.698 . . . . 25.0 106.415 174.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -75.61 130.37 38.68 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 104.527 -2.397 . . . . 25.0 104.527 176.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -136.58 14.55 3.18 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 107.781 -1.192 . . . . 25.0 107.781 -179.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.2 -31.6 14.69 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 105.981 -1.859 . . . . 25.0 105.981 -175.454 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -142.82 -55.77 0.42 Allowed 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 115.157 1.54 . . . . 25.0 115.157 179.113 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 -80.5 -34.63 35.58 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 113.324 0.861 . . . . 25.0 113.324 -173.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 68.1 39.03 88.78 Favored Glycine 0 CA--C 1.52 0.376 0 N-CA-C 110.988 -0.845 . . . . 25.0 110.988 -176.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 88.0 mmt-85 -133.96 153.27 51.89 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 122.296 -0.532 . . . . 25.0 110.723 -175.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 48.4 m -84.98 129.77 34.74 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.36 -0.978 . . . . 25.0 108.36 174.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -119.2 109.93 16.43 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 105.828 -1.916 . . . . 25.0 105.828 177.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -136.84 146.62 45.83 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.808 -0.633 . . . . 25.0 109.429 -169.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.6 mp -140.85 167.16 22.83 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 108.453 -0.943 . . . . 25.0 108.453 -177.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -139.15 152.34 47.36 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.836 -0.431 . . . . 25.0 109.836 175.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 64.5 mt -126.82 137.6 53.22 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 106.205 -1.776 . . . . 25.0 106.205 176.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -123.13 148.71 45.41 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.712 -0.477 . . . . 25.0 109.712 176.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 83.01 22.5 57.43 Favored Glycine 0 C--N 1.33 0.245 0 CA-C-O 121.68 0.6 . . . . 25.0 112.559 177.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 35.4 m120 -68.32 141.36 55.84 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.774 0.797 . . . . 25.0 112.35 -176.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -80.08 92.59 5.65 Favored 'General case' 0 C--O 1.217 -0.651 0 N-CA-C 107.304 -1.369 . . . . 25.0 107.304 173.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -60.26 -33.65 72.6 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.987 -0.746 . . . . 25.0 108.987 178.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.89 -27.82 69.07 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.241 -0.891 . . . . 25.0 111.91 178.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 69.8 p -129.02 33.43 4.59 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 112.398 0.518 . . . . 25.0 112.398 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.4 pp -62.75 149.61 43.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.434 0.635 . . . . 25.0 111.199 -175.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 40.4 t -152.43 156.15 38.94 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.719 -0.845 . . . . 25.0 108.719 -176.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -104.37 -2.39 25.53 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 122.577 0.351 . . . . 25.0 111.124 178.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -78.24 12.65 18.42 Favored Glycine 0 N--CA 1.463 0.463 0 N-CA-C 115.2 0.84 . . . . 25.0 115.2 -175.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -70.75 -20.85 62.58 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 113.202 0.816 . . . . 25.0 113.202 -176.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -70.56 142.48 15.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.391 0.615 . . . . 25.0 111.294 -176.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 9.6 p -58.8 -20.67 17.36 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 CA-C-N 115.4 -0.818 . . . . 25.0 112.66 179.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -71.16 -20.21 62.32 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.611 0.597 . . . . 25.0 112.611 -179.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . 54.67 -151.61 0.37 Allowed 'General case' 0 CA--C 1.534 0.329 0 O-C-N 123.613 0.57 . . . . 25.0 109.889 -177.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . 54.7 33.66 19.93 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 113.738 1.014 . . . . 25.0 113.738 177.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -76.67 78.14 3.32 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 121.125 0.488 . . . . 25.0 109.951 177.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 8.9 t -69.65 145.96 95.43 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.807 -0.633 . . . . 25.0 110.942 -178.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_endo -74.72 176.66 9.51 Favored 'Trans proline' 0 C--O 1.237 0.47 0 C-N-CA 117.562 -1.159 . . . . 25.0 110.488 171.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.221 0 N-CA-C 105.559 -3.016 . . . . 25.0 105.559 176.789 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 206' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.494 0 CA-C-O 118.303 -0.856 . . . . 25.0 109.474 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 49.83 -173.26 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.95 0 O-C-N 125.087 1.492 . . . . 25.0 112.553 -173.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -99.23 179.91 31.1 Favored Glycine 0 CA--C 1.511 -0.208 0 N-CA-C 115.515 0.966 . . . . 25.0 115.515 -173.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.6 t -123.52 -177.46 3.73 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 104.579 -2.378 . . . . 25.0 104.579 175.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -83.42 3.04 33.62 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 120.72 -1.237 . . . . 25.0 113.251 -177.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -86.09 -170.65 47.21 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 108.886 -1.686 . . . . 25.0 108.886 170.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 43.2 m-20 -82.44 136.37 34.94 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 118.796 1.298 . . . . 25.0 108.654 177.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -129.5 152.08 49.43 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 121.086 0.469 . . . . 50.0 111.703 -178.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 99.3 t -128.53 114.22 32.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 104.498 -2.408 . . . . 25.0 104.498 170.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 67.8 mt -130.79 140.98 50.33 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.473 -0.33 . . . . 25.0 110.576 -174.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 74.1 mt -130.68 129.85 64.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 107.242 -1.392 . . . . 25.0 107.242 179.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -86.44 -176.06 49.63 Favored Glycine 0 C--O 1.227 -0.33 0 CA-C-O 121.762 0.645 . . . . 25.0 113.395 -179.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 79.9 p -114.1 -179.78 3.73 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 123.557 0.743 . . . . 25.0 109.691 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -73.96 -12.58 60.69 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 115.302 1.593 . . . . 25.0 115.302 -175.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.3 m -84.71 168.38 1.7 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.438 0 N-CA-C 109.063 -0.717 . . . . 25.0 109.063 178.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.48 137.88 26.71 Favored Glycine 0 CA--C 1.517 0.193 0 N-CA-C 110.818 -0.913 . . . . 25.0 110.818 177.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -142.8 164.71 29.36 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.385 0.612 . . . . 50.0 112.055 -173.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -126.91 114.57 18.04 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 105.888 -1.893 . . . . 25.0 105.888 173.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 62.4 mt -128.37 123.7 60.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.352 -0.61 . . . . 25.0 109.352 -174.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 92.1 p -113.84 139.68 48.95 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.723 -0.473 . . . . 25.0 109.723 176.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -93.62 -25.75 17.25 Favored Glycine 0 C--O 1.227 -0.312 0 C-N-CA 121.337 -0.458 . . . . 25.0 113.868 -178.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.51 -158.55 53.3 Favored Glycine 0 C--O 1.242 0.655 0 CA-C-N 117.804 0.802 . . . . 25.0 112.054 -177.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.09 179.6 3.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 121.92 -0.753 . . . . 25.0 109.776 178.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.71 167.27 38.71 Favored Glycine 0 C--O 1.24 0.498 0 C-N-CA 121.279 -0.486 . . . . 25.0 112.078 -178.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -89.66 113.0 24.41 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 107.272 -1.381 . . . . 25.0 107.272 -179.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -119.43 164.21 16.08 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 113.801 1.038 . . . . 50.0 113.801 -171.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -128.51 114.31 16.6 Favored 'General case' 0 CA--C 1.511 -0.541 0 N-CA-C 105.768 -1.938 . . . . 25.0 105.768 172.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -112.22 139.81 47.45 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 106.154 -1.795 . . . . 25.0 106.154 -178.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -135.25 135.62 41.05 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 104.925 -2.25 . . . . 25.0 104.925 173.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -99.88 -20.92 15.06 Favored Glycine 0 N--CA 1.449 -0.434 0 O-C-N 123.258 0.349 . . . . 25.0 113.292 -176.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 64.6 -158.63 43.3 Favored Glycine 0 C--O 1.246 0.858 0 C-N-CA 120.88 -0.676 . . . . 25.0 111.842 -175.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.39 174.74 7.71 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.681 -0.893 . . . . 25.0 110.135 178.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 83.26 164.64 36.52 Favored Glycine 0 C--O 1.236 0.242 0 N-CA-C 110.927 -0.869 . . . . 25.0 110.927 -178.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -83.22 126.57 32.79 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 107.682 -1.229 . . . . 25.0 107.682 -178.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -131.41 151.67 51.33 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 114.614 1.339 . . . . 50.0 114.614 -171.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.0 mp -110.19 118.61 36.82 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 107.149 -1.426 . . . . 25.0 107.149 174.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.8 mp -123.71 115.9 22.17 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.52 0.676 . . . . 25.0 111.935 -177.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -104.13 115.87 31.19 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.037 -0.529 . . . . 25.0 109.69 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -71.33 -44.3 52.4 Favored Glycine 0 C--O 1.246 0.849 0 C-N-CA 120.712 -0.756 . . . . 25.0 113.727 -176.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.02 178.32 41.42 Favored Glycine 0 CA--C 1.522 0.487 0 C-N-CA 121.329 -0.462 . . . . 25.0 112.625 -178.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.69 154.92 10.78 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.91 -0.759 . . . . 25.0 110.421 179.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 97.13 172.84 34.16 Favored Glycine 0 C--O 1.239 0.434 0 N-CA-C 110.344 -1.102 . . . . 25.0 110.344 -176.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.9 ptp85 -99.33 118.46 36.03 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 107.576 -1.268 . . . . 25.0 107.576 -178.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -122.07 167.48 13.09 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 113.392 0.886 . . . . 50.0 113.392 -166.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -127.01 132.01 50.87 Favored 'General case' 0 CA--C 1.509 -0.631 0 N-CA-C 104.199 -2.519 . . . . 25.0 104.199 176.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.9 mp -131.64 99.13 4.69 Favored 'General case' 0 C--N 1.321 -0.653 0 O-C-N 123.658 0.599 . . . . 25.0 110.479 -175.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 28.7 m -87.97 115.91 25.77 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 107.84 -1.17 . . . . 25.0 107.84 178.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -83.05 -42.19 8.21 Favored Glycine 0 C--O 1.238 0.385 0 C-N-CA 119.861 -1.161 . . . . 25.0 111.001 -179.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.54 -163.89 53.01 Favored Glycine 0 C--O 1.242 0.617 0 N-CA-C 111.404 -0.678 . . . . 25.0 111.404 -179.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.9 mt -62.43 154.54 28.0 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 121.058 0.456 . . . . 25.0 110.869 178.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 94.58 164.53 35.76 Favored Glycine 0 C--O 1.245 0.816 0 N-CA-C 110.553 -1.019 . . . . 25.0 110.553 -178.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.38 122.57 28.65 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 106.017 -1.846 . . . . 25.0 106.017 178.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -121.18 152.05 39.23 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 109.523 -0.547 . . . . 50.0 109.523 -175.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.1 t -123.18 138.73 54.58 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.106 -1.072 . . . . 25.0 108.106 174.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -119.29 129.01 54.68 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 107.848 -1.168 . . . . 25.0 107.848 -176.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 53.7 ttt85 -131.29 141.88 50.04 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 115.613 1.708 . . . . 25.0 115.613 -169.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 48.0 p90 -73.51 162.43 29.27 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 114.648 -1.16 . . . . 25.0 111.699 174.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -128.02 -5.14 5.61 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 116.386 -0.37 . . . . 25.0 110.833 166.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 21.5 tp -157.22 167.02 31.58 Favored 'General case' 0 C--O 1.22 -0.466 0 N-CA-C 107.885 -1.154 . . . . 25.0 107.885 -176.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 36.3 ptt180 -78.66 -23.34 45.78 Favored 'General case' 0 C--O 1.206 -1.204 0 CA-C-N 119.083 0.856 . . . . 25.0 110.404 173.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -97.95 17.09 19.05 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 123.086 1.422 . . . . 25.0 109.302 -176.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -63.11 -34.98 78.78 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 113.32 -1.764 . . . . 25.0 110.841 176.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.0 t -145.7 100.33 3.41 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 105.714 -1.958 . . . . 25.0 105.714 175.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 25.3 t-80 -155.56 114.7 3.57 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.367 -0.975 . . . . 25.0 108.367 -168.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.8 mtm180 -104.02 125.25 50.24 Favored 'General case' 0 C--O 1.217 -0.622 0 CA-C-O 121.004 0.43 . . . . 25.0 109.964 -176.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 60.3 p -149.26 160.64 34.26 Favored Pre-proline 0 C--N 1.326 -0.441 0 N-CA-C 108.064 -1.087 . . . . 25.0 108.064 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -71.53 -15.96 30.65 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 117.13 -1.447 . . . . 25.0 113.048 178.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 75.3 mt -82.22 -7.52 59.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.463 0.649 . . . . 25.0 110.374 179.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 159.69 106.39 0.22 Allowed Glycine 0 N--CA 1.449 -0.461 0 N-CA-C 108.985 -1.646 . . . . 25.0 108.985 -177.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.6 t -97.32 118.11 33.05 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.636 0.732 . . . . 25.0 110.828 -177.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -125.55 137.61 53.93 Favored 'General case' 0 C--O 1.216 -0.704 0 N-CA-C 105.76 -1.941 . . . . 25.0 105.76 177.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 45.0 t -153.86 147.61 25.32 Favored 'General case' 0 CA--C 1.492 -1.286 0 N-CA-C 104.214 -2.513 . . . . 25.0 104.214 178.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -104.29 150.51 24.38 Favored 'General case' 0 C--N 1.312 -1.026 0 N-CA-C 107.848 -1.167 . . . . 50.0 107.848 176.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.72 132.66 55.18 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 106.193 -1.78 . . . . 25.0 106.193 178.384 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 38.9 mt -107.92 142.25 21.09 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.718 0 N-CA-C 103.368 -2.827 . . . . 25.0 103.368 175.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -124.12 149.93 45.67 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 106.836 -1.542 . . . . 25.0 106.836 -175.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 53.54 47.78 23.2 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 122.354 1.073 . . . . 25.0 108.88 -178.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -80.18 130.04 34.93 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.303 -1.317 . . . . 25.0 110.957 -176.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -105.69 91.07 4.72 Favored Pre-proline 0 C--N 1.324 -0.511 0 N-CA-C 108.709 -0.848 . . . . 25.0 108.709 177.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.481 ' HG2' ' HG1' ' A' ' 139' ' ' THR . 71.2 Cg_endo -66.66 -2.02 6.81 Favored 'Trans proline' 0 CA--C 1.534 0.52 0 N-CA-C 115.221 1.2 . . . . 25.0 115.221 -179.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.9 t -99.38 -4.39 31.7 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 112.085 0.402 . . . . 25.0 112.085 176.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 60.8 mm-40 -139.87 -34.07 0.57 Allowed 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 114.341 1.237 . . . . 25.0 114.341 -173.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -82.47 175.21 10.39 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.314 0.578 . . . . 50.0 111.572 -171.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 39.4 tptt -144.45 146.13 32.28 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 122.153 -0.342 . . . . 25.0 110.262 -179.045 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 41.8 mt -127.09 121.19 57.29 Favored 'Isoleucine or valine' 0 C--O 1.243 0.727 0 CA-C-O 121.517 0.675 . . . . 25.0 110.31 178.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.34 122.52 30.42 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.082 -1.081 . . . . 25.0 108.082 176.011 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 26.9 m -131.67 16.95 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 CA-C-O 121.062 0.458 . . . . 25.0 112.233 -177.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.2 t -55.18 -38.73 68.72 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 114.65 1.352 . . . . 25.0 114.65 -173.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.15 -22.94 62.94 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 112.855 0.687 . . . . 25.0 112.855 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 23.4 mt -81.48 -59.26 2.68 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 106.364 -1.717 . . . . 25.0 106.364 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 79.03 141.5 2.1 Favored Glycine 0 C--O 1.222 -0.602 0 CA-C-N 114.463 -1.244 . . . . 25.0 111.902 -178.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -148.69 154.49 39.71 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 102.996 -2.964 . . . . 25.0 102.996 177.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 10.5 tp -142.1 -31.92 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 N-CA-C 113.579 0.955 . . . . 25.0 113.579 -176.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -92.75 170.33 32.07 Favored Glycine 0 C--O 1.222 -0.599 0 C-N-CA 120.959 -0.639 . . . . 25.0 112.273 -178.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 89.8 mt -81.65 -97.97 0.04 OUTLIER 'General case' 0 C--O 1.218 -0.605 0 N-CA-C 115.063 1.505 . . . . 25.0 115.063 -175.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -142.74 44.93 0.94 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 119.77 2.668 . . . . 25.0 119.77 -166.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -110.71 -0.85 16.95 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 119.047 1.423 . . . . 25.0 112.049 178.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 75.71 -1.07 59.55 Favored Glycine 0 N--CA 1.46 0.286 0 N-CA-C 117.297 1.679 . . . . 25.0 117.297 178.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.406 ' HA ' ' HB3' ' A' ' 119' ' ' TYR . 96.3 m-85 -136.77 160.13 39.78 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 117.634 0.717 . . . . 25.0 110.597 -178.009 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 52.98 49.13 20.87 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 113.007 0.744 . . . . 25.0 113.007 176.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 83.71 -0.98 89.35 Favored Glycine 0 N--CA 1.453 -0.202 0 N-CA-C 114.791 0.676 . . . . 25.0 114.791 176.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 34.6 p -100.23 159.0 15.46 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 107.467 -1.309 . . . . 25.0 107.467 179.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 74.9 mt -99.43 164.43 12.1 Favored 'General case' 0 C--O 1.215 -0.76 0 N-CA-C 113.375 0.88 . . . . 25.0 113.375 -171.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -132.37 121.28 23.24 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 105.384 -2.08 . . . . 25.0 105.384 169.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 7.3 p -109.6 142.33 22.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 N-CA-C 106.621 -1.622 . . . . 25.0 106.621 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 47.8 p -139.73 155.87 47.1 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 107.139 -1.43 . . . . 25.0 107.139 178.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 61.9 mt -133.45 160.62 36.86 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.987 -0.745 . . . . 25.0 108.987 -174.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 16.1 p -77.0 171.35 14.94 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 106.937 -1.505 . . . . 25.0 106.937 169.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.11 -14.77 57.09 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 113.983 1.105 . . . . 25.0 113.983 -178.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 10.7 p30 -114.0 1.69 14.76 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.763 -0.828 . . . . 25.0 108.763 -178.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 68.78 2.79 31.37 Favored Glycine 0 CA--C 1.519 0.302 0 CA-C-N 115.632 -0.713 . . . . 25.0 114.367 -178.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 97.6 mt -75.09 -16.2 60.57 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 117.461 0.63 . . . . 25.0 112.0 -174.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 56.2 mtt-85 -122.53 143.2 49.87 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 106.349 -1.722 . . . . 25.0 106.349 176.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 13.6 m -137.07 142.66 42.38 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.11 -1.07 . . . . 25.0 108.11 -177.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -131.74 140.37 49.24 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.168 -1.049 . . . . 25.0 108.168 178.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 83.9 mt -120.0 127.74 52.89 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.622 -0.881 . . . . 25.0 108.622 -178.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 4.2 tmtt? -124.07 147.9 47.51 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 106.451 -1.685 . . . . 25.0 106.451 -178.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 17.3 t -143.44 163.06 34.15 Favored 'General case' 0 C--O 1.241 0.623 0 N-CA-C 105.84 -1.911 . . . . 25.0 105.84 173.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.406 ' HB3' ' HA ' ' A' ' 99' ' ' TYR . 88.9 t80 -140.86 107.62 5.37 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 106.304 -1.739 . . . . 25.0 106.304 173.177 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -121.77 137.51 54.74 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 107.494 -1.298 . . . . 25.0 107.494 -171.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -136.74 10.72 3.14 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 113.715 1.006 . . . . 25.0 113.715 -178.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -72.31 -34.27 68.0 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 114.764 -1.107 . . . . 25.0 109.667 -178.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -120.79 79.63 1.52 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.229 -0.896 . . . . 25.0 111.462 -177.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? 55.72 31.13 16.87 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.745 1.017 . . . . 25.0 113.745 174.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 68.91 17.35 71.43 Favored Glycine 0 N--CA 1.461 0.301 0 N-CA-C 115.589 0.996 . . . . 25.0 115.589 176.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 22.0 mmt85 -79.98 109.83 14.79 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 117.887 0.844 . . . . 25.0 108.849 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 42.4 m -110.28 147.24 34.24 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.141 -0.689 . . . . 25.0 109.141 -178.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -116.87 133.67 55.72 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.353 0.597 . . . . 25.0 110.98 -174.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -141.75 145.8 35.24 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.654 -0.869 . . . . 25.0 108.654 -171.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.8 mp -142.21 172.6 12.47 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 122.701 0.401 . . . . 25.0 110.836 -173.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -144.29 152.76 41.23 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 109.993 -0.373 . . . . 25.0 109.993 174.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 51.6 mt -132.07 149.01 52.52 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.091 -1.448 . . . . 25.0 107.091 177.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -143.39 158.15 43.87 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.017 -1.105 . . . . 25.0 108.017 174.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 71.48 24.84 76.37 Favored Glycine 0 C--O 1.224 -0.53 0 N-CA-C 109.813 -1.315 . . . . 25.0 109.813 -175.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -75.76 130.77 39.15 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.337 0.495 . . . . 25.0 112.337 -175.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -77.57 88.83 3.89 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.036 -0.727 . . . . 25.0 109.036 172.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -60.54 -30.88 70.03 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.519 -0.764 . . . . 25.0 109.649 177.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -60.25 -26.46 66.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.159 -0.928 . . . . 25.0 110.962 177.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' THR . . . . . 0.481 ' HG1' ' HG2' ' A' ' 80' ' ' PRO . 74.0 p -127.22 31.25 5.27 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 112.704 0.631 . . . . 25.0 112.704 178.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.5 pp -63.3 142.69 58.29 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 120.46 -0.496 . . . . 25.0 110.211 -177.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 46.8 t -156.08 148.76 23.92 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.965 0.412 . . . . 25.0 111.844 -176.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -83.04 -9.17 59.39 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 121.097 0.475 . . . . 25.0 110.462 176.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -65.02 -12.84 56.22 Favored Glycine 0 CA--C 1.519 0.334 0 N-CA-C 114.864 0.706 . . . . 25.0 114.864 -176.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 58.6 m-80 -67.28 -24.4 65.78 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.858 0.361 . . . . 25.0 111.811 179.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 64.7 mt -73.38 136.21 25.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 108.626 -0.879 . . . . 25.0 108.626 -176.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 9.9 p -56.31 -24.55 18.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 N-CA-C 114.34 1.237 . . . . 25.0 114.34 -177.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -66.95 -29.0 68.74 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 121.836 -0.54 . . . . 25.0 112.006 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . 52.34 -152.27 0.26 Allowed 'General case' 0 CA--C 1.54 0.586 0 O-C-N 123.507 0.504 . . . . 25.0 111.318 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . 53.27 32.35 13.37 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.489 1.292 . . . . 25.0 114.489 176.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -64.12 134.86 55.7 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.501 -0.926 . . . . 25.0 108.501 177.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 7.8 t -71.89 144.57 88.13 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 108.138 -1.06 . . . . 25.0 108.138 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -74.29 161.66 40.02 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 116.836 -1.642 . . . . 25.0 112.312 179.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.297 0 N-CA-C 105.677 -2.969 . . . . 25.0 105.677 178.724 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 206' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 118.307 -0.854 . . . . 25.0 109.41 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 50.27 -175.45 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.07 0 O-C-N 124.953 1.408 . . . . 25.0 113.488 -175.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -97.13 166.03 23.14 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.889 -0.672 . . . . 25.0 113.225 -178.199 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.8 t -107.53 -176.99 3.22 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 104.623 -2.362 . . . . 25.0 104.623 175.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -83.75 1.38 43.08 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 120.808 -1.182 . . . . 25.0 112.488 -179.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -84.1 -172.06 48.54 Favored Glycine 0 C--N 1.318 -0.453 0 N-CA-C 108.593 -1.803 . . . . 25.0 108.593 169.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 56.6 m-20 -82.81 135.46 34.95 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 118.649 1.225 . . . . 25.0 108.703 178.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -128.57 155.77 44.4 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 120.988 0.423 . . . . 50.0 111.977 -178.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 88.6 t -124.99 110.19 24.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 104.995 -2.224 . . . . 25.0 104.995 169.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.5 mt -118.91 130.68 55.86 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.057 -1.09 . . . . 25.0 108.057 -175.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 87.3 mt -134.12 128.8 53.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 107.626 -1.25 . . . . 25.0 107.626 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -89.84 -172.44 45.12 Favored Glycine 0 C--N 1.329 0.161 0 CA-C-O 121.961 0.756 . . . . 25.0 114.589 -177.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.2 t -118.08 -169.91 1.78 Allowed 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.731 0.813 . . . . 25.0 110.339 -179.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -70.11 -29.04 65.89 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 114.087 1.144 . . . . 25.0 114.087 -176.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.7 m -70.38 162.73 3.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.567 -0.288 . . . . 25.0 110.494 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.26 137.79 25.56 Favored Glycine 0 C--O 1.229 -0.215 0 N-CA-C 109.917 -1.273 . . . . 25.0 109.917 177.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -141.45 162.4 35.57 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 121.371 0.605 . . . . 50.0 112.532 -172.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -125.04 118.74 26.86 Favored 'General case' 0 C--N 1.323 -0.543 0 N-CA-C 106.057 -1.831 . . . . 25.0 106.057 175.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 59.7 mt -128.26 126.32 65.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 110.138 -0.319 . . . . 25.0 110.138 -171.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 70.3 p -122.63 132.13 54.14 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 122.278 -0.264 . . . . 25.0 110.402 178.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -92.74 -24.58 22.9 Favored Glycine 0 CA--C 1.518 0.235 0 N-CA-C 115.738 1.055 . . . . 25.0 115.738 -176.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.82 -159.26 53.54 Favored Glycine 0 C--O 1.245 0.824 0 CA-C-N 118.164 0.982 . . . . 25.0 112.152 -178.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.79 179.88 3.44 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 121.645 -0.915 . . . . 25.0 109.605 178.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.0 168.87 40.58 Favored Glycine 0 C--O 1.244 0.739 0 C-N-CA 121.39 -0.433 . . . . 25.0 112.03 -178.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -90.77 112.18 23.86 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 108.266 -1.012 . . . . 25.0 108.266 -178.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -121.08 165.37 15.41 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 114.292 1.219 . . . . 50.0 114.292 -171.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -117.32 135.08 54.1 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 104.803 -2.295 . . . . 25.0 104.803 164.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.5 mp -123.48 143.64 50.04 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 103.038 -2.949 . . . . 25.0 103.038 173.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -145.07 135.12 23.84 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 106.364 -1.717 . . . . 25.0 106.364 177.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -104.44 -24.17 7.61 Favored Glycine 0 N--CA 1.446 -0.657 0 O-C-N 123.363 0.414 . . . . 25.0 113.411 -175.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 63.04 -150.28 49.01 Favored Glycine 0 CA--C 1.526 0.765 0 C-N-CA 120.396 -0.907 . . . . 25.0 112.206 -175.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.33 170.62 12.75 Favored 'General case' 0 C--O 1.243 0.739 0 O-C-N 121.771 -0.84 . . . . 25.0 111.086 179.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 81.55 166.91 37.74 Favored Glycine 0 CA--C 1.515 0.089 0 N-CA-C 111.248 -0.741 . . . . 25.0 111.248 -178.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -84.1 130.16 34.87 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 106.206 -1.776 . . . . 25.0 106.206 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -132.89 152.95 51.79 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 112.783 0.66 . . . . 50.0 112.783 -173.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.5 mp -114.99 119.89 38.02 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.139 -1.06 . . . . 25.0 108.139 176.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.6 mp -121.61 131.57 54.19 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 111.646 0.239 . . . . 25.0 111.646 -176.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -121.79 110.62 16.13 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.13 0.572 . . . . 25.0 109.462 177.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -70.22 -36.98 71.5 Favored Glycine 0 C--O 1.244 0.729 0 C-N-CA 120.644 -0.789 . . . . 25.0 114.506 -175.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.97 -177.8 44.47 Favored Glycine 0 CA--C 1.523 0.586 0 CA-C-N 117.009 0.404 . . . . 25.0 112.58 -177.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.19 157.2 10.91 Favored 'General case' 0 CA--C 1.546 0.814 0 O-C-N 121.722 -0.869 . . . . 25.0 110.642 178.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.11 172.42 44.76 Favored Glycine 0 C--O 1.241 0.556 0 N-CA-C 109.989 -1.244 . . . . 25.0 109.989 -176.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.6 ptp85 -91.65 135.57 33.78 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 106.944 -1.502 . . . . 25.0 106.944 179.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -135.68 167.2 21.57 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.0 0.429 . . . . 50.0 112.145 -172.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -125.26 108.99 12.28 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 105.707 -1.96 . . . . 25.0 105.707 178.73 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.5 mp -106.29 95.75 5.99 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 109.377 -0.601 . . . . 25.0 109.377 -173.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 18.1 m -88.07 114.45 24.7 Favored 'General case' 0 C--N 1.32 -0.681 0 O-C-N 121.95 -0.469 . . . . 25.0 110.182 -177.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -86.58 -41.71 6.76 Favored Glycine 0 CA--C 1.509 -0.313 0 C-N-CA 120.1 -1.047 . . . . 25.0 112.552 -178.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.07 -161.06 54.14 Favored Glycine 0 C--O 1.239 0.432 0 N-CA-C 111.127 -0.789 . . . . 25.0 111.127 -179.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.6 mt -62.67 155.97 24.84 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.327 0.584 . . . . 25.0 111.169 178.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.19 166.35 32.68 Favored Glycine 0 C--O 1.245 0.834 0 CA-C-N 115.087 -0.96 . . . . 25.0 112.197 -179.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -86.54 106.81 17.79 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 106.537 -1.653 . . . . 25.0 106.537 178.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -109.34 153.55 23.76 Favored 'General case' 0 C--N 1.313 -1.008 0 N-CA-C 109.478 -0.564 . . . . 50.0 109.478 -173.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.0 t -124.64 142.31 51.46 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.818 0.818 . . . . 25.0 109.244 172.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -118.78 120.9 38.75 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.799 -1.091 . . . . 25.0 108.257 -176.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -113.05 134.93 54.3 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.127 0.489 . . . . 25.0 111.468 -171.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.405 ' CD1' ' HA ' ' A' ' 87' ' ' VAL . 0.2 OUTLIER -89.06 151.64 22.13 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.63 -0.878 . . . . 25.0 108.63 176.911 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -103.69 -48.21 4.01 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 112.946 0.721 . . . . 25.0 112.946 179.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.4 mp -132.57 165.95 23.21 Favored 'General case' 0 C--O 1.21 -1.023 0 N-CA-C 107.773 -1.195 . . . . 25.0 107.773 -176.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 38.1 ptt180 -63.64 -23.0 67.2 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 121.05 -1.031 . . . . 25.0 111.178 175.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -86.48 9.26 18.8 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.892 -0.594 . . . . 25.0 112.239 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -65.93 -30.85 71.5 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.392 -0.367 . . . . 25.0 110.355 177.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 58.9 p -148.05 123.28 10.22 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 109.664 -0.495 . . . . 25.0 109.664 178.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -155.52 153.21 29.87 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 108.524 -0.917 . . . . 25.0 108.524 -175.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 25.2 mtm180 -132.67 150.19 52.19 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 119.355 0.979 . . . . 25.0 108.617 175.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 85.1 p -152.9 168.0 12.28 Favored Pre-proline 0 C--N 1.321 -0.635 0 N-CA-C 108.706 -0.85 . . . . 25.0 108.706 -172.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -70.61 -11.53 29.88 Favored 'Trans proline' 0 C--N 1.352 0.75 0 C-N-CA 116.764 -1.691 . . . . 25.0 112.988 175.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 69.2 mt -81.11 -6.2 58.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.847 0.356 . . . . 25.0 110.392 177.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 136.73 170.6 11.98 Favored Glycine 0 C--O 1.24 0.507 0 N-CA-C 111.639 -0.584 . . . . 25.0 111.639 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.3 t -91.55 140.42 29.76 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.184 -0.673 . . . . 25.0 109.184 177.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -130.92 20.84 4.96 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 106.367 -1.716 . . . . 25.0 106.367 177.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 86.3 p -82.11 151.62 26.91 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 108.641 -0.874 . . . . 25.0 108.641 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -83.53 160.66 21.43 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.225 -0.657 . . . . 50.0 109.225 177.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.3 mp -119.81 128.67 53.92 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 104.438 -2.43 . . . . 25.0 104.438 170.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 52.5 mt -96.98 139.5 19.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 101.903 -3.369 . . . . 25.0 101.903 172.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -115.19 143.61 44.97 Favored 'General case' 0 C--N 1.311 -1.066 0 N-CA-C 108.709 -0.849 . . . . 25.0 108.709 -173.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 57.43 45.6 19.51 Favored 'General case' 0 C--O 1.243 0.752 0 O-C-N 124.59 1.181 . . . . 25.0 108.995 178.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -80.39 124.9 29.28 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.898 -1.047 . . . . 25.0 110.228 -178.128 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -101.01 98.07 8.02 Favored Pre-proline 0 C--N 1.317 -0.812 0 CA-C-N 114.961 -1.018 . . . . 25.0 108.817 178.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -64.58 -12.43 33.56 Favored 'Trans proline' 0 CA--C 1.536 0.612 0 N-CA-C 114.429 0.896 . . . . 25.0 114.429 179.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 48.3 t -85.22 -11.45 54.89 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 112.673 0.619 . . . . 25.0 112.673 176.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 90.6 mm-40 -134.94 -36.99 0.81 Allowed 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 114.451 1.278 . . . . 25.0 114.451 -172.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -87.77 161.83 17.36 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 113.315 0.858 . . . . 50.0 113.315 -169.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.5 tptt -131.39 154.42 48.65 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.227 -0.442 . . . . 25.0 111.901 -177.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 68.1 mt -127.62 115.52 40.08 Favored 'Isoleucine or valine' 0 C--O 1.241 0.618 0 CA-C-O 121.084 0.469 . . . . 25.0 110.268 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -95.48 108.37 20.59 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 123.316 0.646 . . . . 25.0 110.439 177.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.405 ' HA ' ' CD1' ' A' ' 57' ' ' PHE . 5.7 m -135.9 159.69 39.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 108.189 -1.041 . . . . 25.0 108.189 178.599 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 41.3 t -156.91 -62.59 0.1 Allowed 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 114.336 1.236 . . . . 25.0 114.336 178.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.88 14.23 0.3 Allowed 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 116.08 1.882 . . . . 25.0 116.08 -170.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 18.7 mt -83.55 -31.85 26.17 Favored 'General case' 0 C--O 1.216 -0.659 0 N-CA-C 106.466 -1.679 . . . . 25.0 106.466 176.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 77.94 28.47 56.53 Favored Glycine 0 CA--C 1.521 0.447 0 N-CA-C 117.952 1.941 . . . . 25.0 117.952 171.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -62.54 134.39 56.31 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.265 -1.013 . . . . 25.0 108.265 176.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 10.4 tp -137.56 -28.92 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 N-CA-C 114.841 1.423 . . . . 25.0 114.841 -170.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -88.12 163.17 32.9 Favored Glycine 0 C--O 1.222 -0.597 0 C-N-CA 120.097 -1.049 . . . . 25.0 114.973 -176.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 75.3 mt -58.24 -36.04 72.6 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 116.218 1.933 . . . . 25.0 116.218 -172.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 138.54 72.31 0.05 OUTLIER Glycine 0 CA--C 1.521 0.442 0 N-CA-C 119.07 2.388 . . . . 25.0 119.07 177.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -111.79 -4.79 14.53 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 122.188 -0.595 . . . . 25.0 110.427 175.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 83.48 -0.84 89.45 Favored Glycine 0 N--CA 1.46 0.26 0 N-CA-C 115.941 1.136 . . . . 25.0 115.941 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.401 ' HA ' ' HB3' ' A' ' 119' ' ' TYR . 93.7 m-85 -142.67 156.01 44.99 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.632 -0.877 . . . . 25.0 108.632 -178.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 58.3 51.06 8.77 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 113.841 1.052 . . . . 25.0 113.841 177.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 77.68 16.54 80.01 Favored Glycine 0 CA--C 1.508 -0.394 0 C-N-CA 120.841 -0.695 . . . . 25.0 113.41 173.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 13.3 p -122.45 138.23 54.61 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 106.581 -1.636 . . . . 25.0 106.581 -178.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 36.3 mt -91.17 147.25 23.19 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 116.412 2.005 . . . . 25.0 116.412 -171.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -139.12 156.89 46.82 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 106.627 -1.62 . . . . 25.0 106.627 169.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 59.7 t -127.04 135.4 63.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 107.905 -1.146 . . . . 25.0 107.905 -177.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 84.5 p -130.28 157.11 43.41 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 107.123 -1.436 . . . . 25.0 107.123 176.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.6 mp -134.38 165.94 23.98 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 110.041 -0.355 . . . . 25.0 110.041 -175.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 97.1 p -76.35 171.66 14.21 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.215 -1.402 . . . . 25.0 107.215 171.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.37 -32.83 67.18 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 113.23 0.826 . . . . 25.0 113.23 -177.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -99.12 0.62 43.91 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.546 0.689 . . . . 25.0 110.518 -175.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 73.18 4.36 63.39 Favored Glycine 0 C--N 1.322 -0.199 0 CA-C-N 115.283 -0.871 . . . . 25.0 113.047 -175.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 72.9 mt -71.31 -18.79 62.39 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 113.664 0.987 . . . . 25.0 113.664 -175.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 -132.24 146.89 52.32 Favored 'General case' 0 CA--C 1.501 -0.926 0 N-CA-C 107.227 -1.397 . . . . 25.0 107.227 176.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 29.4 m -136.2 146.71 47.11 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 107.894 -1.15 . . . . 25.0 107.894 -175.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -133.37 145.72 50.61 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.186 -1.042 . . . . 25.0 108.186 178.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 5.0 mp -123.11 128.63 50.36 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 107.137 -1.431 . . . . 25.0 107.137 -178.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -128.38 134.11 48.76 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.436 -0.347 . . . . 25.0 110.812 -175.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 20.8 t -120.14 -28.46 5.09 Favored 'General case' 0 N--CA 1.468 0.474 0 O-C-N 123.871 0.732 . . . . 25.0 111.747 176.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.401 ' HB3' ' HA ' ' A' ' 99' ' ' TYR . 6.5 t80 43.05 55.12 4.64 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 122.164 0.983 . . . . 25.0 112.601 -177.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.73 137.12 57.06 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.689 -1.141 . . . . 25.0 109.279 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -146.37 13.05 1.22 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 122.275 1.036 . . . . 25.0 109.532 177.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -81.3 -13.07 58.82 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 113.704 -1.589 . . . . 25.0 114.069 -166.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -132.96 -64.41 0.74 Allowed 'General case' 0 C--O 1.215 -0.73 0 CA-C-O 121.281 0.562 . . . . 25.0 112.43 179.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 -102.84 -5.68 23.35 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.87 0.693 . . . . 25.0 112.87 -176.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 68.07 32.26 76.49 Favored Glycine 0 CA--C 1.525 0.694 0 C-N-CA 120.707 -0.758 . . . . 25.0 111.55 -175.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 87.7 mmt-85 -134.31 142.45 47.27 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 105.723 -1.955 . . . . 25.0 105.723 -177.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 68.8 p -118.14 139.62 50.99 Favored 'General case' 0 C--O 1.244 0.773 0 N-CA-C 116.563 2.06 . . . . 25.0 116.563 -169.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -99.98 125.06 45.95 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 107.822 -1.177 . . . . 25.0 107.822 175.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -143.29 151.06 40.08 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 105.922 -1.881 . . . . 25.0 105.922 -177.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.2 mp -131.23 167.57 18.96 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 120.706 0.289 . . . . 25.0 111.293 -171.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -139.88 155.08 47.39 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.402 -0.592 . . . . 25.0 109.402 178.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.518 ' HB3' HD22 ' A' ' 135' ' ' ASN . 67.5 mt -136.61 155.58 49.72 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 106.197 -1.779 . . . . 25.0 106.197 176.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -145.3 153.38 41.21 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 107.584 -1.265 . . . . 25.0 107.584 -177.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 67.5 42.59 88.61 Favored Glycine 0 C--O 1.226 -0.355 0 N-CA-C 109.995 -1.242 . . . . 25.0 109.995 -177.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . 0.518 HD22 ' HB3' ' A' ' 132' ' ' LEU . 31.2 m120 -90.89 145.0 25.11 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 114.505 1.298 . . . . 25.0 114.505 -173.453 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 68.1 m80 -103.32 77.46 1.52 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.318 -1.31 . . . . 25.0 108.997 175.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -63.88 -25.49 68.18 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.662 -0.699 . . . . 25.0 109.871 178.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -62.14 -25.2 67.61 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 116.131 -0.486 . . . . 25.0 111.207 176.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 80.6 p -119.83 32.04 6.25 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 116.84 -0.164 . . . . 25.0 111.213 178.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.6 pp -56.81 154.93 8.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.785 0.802 . . . . 25.0 113.061 -175.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 42.1 t -149.63 151.99 34.68 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 107.375 -1.342 . . . . 25.0 107.375 179.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -92.04 -15.89 27.22 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.453 0.644 . . . . 25.0 109.988 177.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -85.3 26.13 5.83 Favored Glycine 0 C--O 1.225 -0.468 0 N-CA-C 115.481 0.953 . . . . 25.0 115.481 -174.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -66.06 -33.83 76.68 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.493 0.663 . . . . 25.0 111.297 -178.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -74.57 146.49 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.707 0.765 . . . . 25.0 112.432 -177.033 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 9.1 p -61.51 -19.58 21.08 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 CA-C-N 115.488 -0.778 . . . . 25.0 111.887 179.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -64.74 -25.47 67.94 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 122.296 -0.252 . . . . 25.0 111.556 179.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . 52.46 -147.36 0.46 Allowed 'General case' 0 CA--C 1.534 0.34 0 O-C-N 123.56 0.538 . . . . 25.0 110.291 -178.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . 59.32 13.02 2.89 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 115.719 1.748 . . . . 25.0 115.719 175.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -79.15 53.49 1.46 Allowed 'General case' 0 CA--C 1.542 0.665 0 CA-C-O 121.289 0.566 . . . . 25.0 111.509 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 15.1 t -81.85 144.77 52.39 Favored Pre-proline 0 CA--C 1.54 0.566 0 CA-C-N 116.03 -0.532 . . . . 25.0 110.469 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -76.54 173.98 13.6 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 117.694 -1.07 . . . . 25.0 111.403 175.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.145 0 N-CA-C 105.246 -3.142 . . . . 25.0 105.246 176.889 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 206' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 118.41 -0.805 . . . . 25.0 109.634 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 65.32 117.59 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.951 0 O-C-N 124.967 1.417 . . . . 25.0 114.226 -178.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -89.44 172.76 39.81 Favored Glycine 0 N--CA 1.451 -0.307 0 N-CA-C 110.88 -0.888 . . . . 25.0 110.88 176.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 68.7 p -80.42 -176.02 5.46 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.438 -0.949 . . . . 25.0 108.438 176.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -89.62 9.04 28.37 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 121.324 -0.86 . . . . 25.0 111.124 174.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -90.02 -154.62 29.97 Favored Glycine 0 CA--C 1.518 0.234 0 N-CA-C 109.122 -1.591 . . . . 25.0 109.122 173.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -94.83 125.03 39.21 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 107.773 -1.195 . . . . 25.0 107.773 176.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -130.88 155.16 47.22 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 121.142 0.496 . . . . 50.0 111.8 -175.006 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 84.0 t -124.86 115.3 43.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 106.142 -1.799 . . . . 25.0 106.142 173.052 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.8 mp -120.59 128.32 52.94 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.581 -0.896 . . . . 25.0 108.581 -179.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 37.8 mm -119.59 123.04 70.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 107.86 -1.163 . . . . 25.0 107.86 -178.204 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -83.38 154.47 31.47 Favored Glycine 0 N--CA 1.449 -0.482 0 CA-C-O 121.791 0.661 . . . . 25.0 113.537 -178.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 87.8 p -86.66 -178.72 6.44 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.083 -0.71 . . . . 25.0 109.083 177.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -76.4 -10.52 59.46 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 115.417 1.636 . . . . 25.0 115.417 -176.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.4 m -85.6 167.51 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 N-CA-C 108.779 -0.823 . . . . 25.0 108.779 176.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.97 136.42 24.1 Favored Glycine 0 CA--C 1.515 0.093 0 C-N-CA 120.461 -0.876 . . . . 25.0 111.574 179.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -142.94 163.42 32.84 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 117.405 0.603 . . . . 50.0 112.365 -174.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -118.33 118.27 31.34 Favored 'General case' 0 C--O 1.237 0.429 0 N-CA-C 105.642 -1.984 . . . . 25.0 105.642 171.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 54.7 mt -126.95 123.45 62.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 109.11 -0.7 . . . . 25.0 109.11 -174.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.3 p -116.59 140.88 48.89 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.835 -0.431 . . . . 25.0 109.835 179.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -95.75 -25.68 12.95 Favored Glycine 0 C--N 1.325 -0.077 0 C-N-CA 121.369 -0.443 . . . . 25.0 114.027 -178.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 73.06 -162.02 54.61 Favored Glycine 0 C--O 1.244 0.736 0 N-CA-C 111.395 -0.682 . . . . 25.0 111.395 -177.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.5 175.76 4.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 122.006 -0.703 . . . . 25.0 109.341 177.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.95 172.89 49.13 Favored Glycine 0 C--O 1.246 0.856 0 C-N-CA 121.274 -0.489 . . . . 25.0 113.3 179.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -86.72 112.19 21.42 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.879 -0.786 . . . . 25.0 108.879 -178.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -120.87 165.9 14.54 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 114.101 1.149 . . . . 50.0 114.101 -174.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -123.25 127.0 47.98 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 105.043 -2.206 . . . . 25.0 105.043 167.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -121.35 121.58 37.95 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 106.261 -1.755 . . . . 25.0 106.261 178.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -117.09 138.6 51.51 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 105.146 -2.168 . . . . 25.0 105.146 173.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -93.38 -28.34 11.72 Favored Glycine 0 C--N 1.319 -0.364 0 C-N-CA 121.289 -0.481 . . . . 25.0 112.564 -179.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 72.75 -163.37 54.84 Favored Glycine 0 C--O 1.245 0.814 0 N-CA-C 109.184 -1.566 . . . . 25.0 109.184 -174.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.1 175.82 7.12 Favored 'General case' 0 C--O 1.244 0.813 0 CA-C-N 118.002 0.901 . . . . 25.0 109.53 177.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.78 167.04 36.51 Favored Glycine 0 C--O 1.242 0.607 0 N-CA-C 110.165 -1.174 . . . . 25.0 110.165 -176.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -84.54 134.65 34.41 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 107.026 -1.472 . . . . 25.0 107.026 -179.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -136.7 152.98 50.98 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 114.214 1.19 . . . . 50.0 114.214 -171.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.9 mp -108.89 123.83 49.7 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 105.739 -1.949 . . . . 25.0 105.739 174.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.0 mp -124.31 107.27 10.98 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.064 0.459 . . . . 25.0 110.664 -177.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -99.84 104.81 16.5 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 108.656 -0.868 . . . . 25.0 108.656 -178.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -63.86 -41.84 98.64 Favored Glycine 0 C--O 1.247 0.938 0 C-N-CA 120.751 -0.738 . . . . 25.0 114.567 -174.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.49 175.94 44.09 Favored Glycine 0 C--O 1.238 0.358 0 N-CA-C 111.644 -0.582 . . . . 25.0 111.644 -178.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.29 154.99 7.34 Favored 'General case' 0 C--O 1.243 0.749 0 O-C-N 122.194 -0.592 . . . . 25.0 111.703 -179.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 87.39 168.57 44.82 Favored Glycine 0 C--O 1.24 0.512 0 N-CA-C 110.533 -1.027 . . . . 25.0 110.533 -176.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.2 ptp85 -82.92 145.18 29.55 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 107.301 -1.37 . . . . 25.0 107.301 179.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -140.7 169.26 17.98 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 120.579 0.228 . . . . 50.0 110.466 -174.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.6 120.69 28.71 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 104.874 -2.269 . . . . 25.0 104.874 177.376 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.6 mp -121.75 98.51 5.99 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.844 0.683 . . . . 25.0 112.844 -171.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -88.04 104.89 17.09 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 122.609 0.364 . . . . 25.0 110.692 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -72.13 -42.44 51.06 Favored Glycine 0 C--O 1.249 1.086 0 C-N-CA 119.817 -1.182 . . . . 25.0 113.265 -177.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.86 -163.01 53.88 Favored Glycine 0 C--O 1.241 0.556 0 N-CA-C 111.526 -0.63 . . . . 25.0 111.526 -178.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 86.5 mt -62.36 155.06 26.2 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-O 121.168 0.508 . . . . 25.0 111.299 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 90.37 168.09 42.31 Favored Glycine 0 C--O 1.246 0.878 0 CA-C-N 115.136 -0.938 . . . . 25.0 110.818 -178.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -84.77 128.03 34.41 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 106.322 -1.733 . . . . 25.0 106.322 177.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -122.84 147.65 46.31 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 109.389 -0.597 . . . . 50.0 109.389 -174.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.6 t -119.76 124.01 45.14 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 107.959 -1.126 . . . . 25.0 107.959 174.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -102.29 129.94 48.85 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 106.541 -1.652 . . . . 25.0 106.541 -177.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -124.66 145.22 49.77 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 116.674 2.101 . . . . 25.0 116.674 -168.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 43.1 p90 -81.52 160.2 23.97 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.052 -1.431 . . . . 25.0 108.29 169.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -125.81 -21.77 4.33 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 109.237 -0.653 . . . . 25.0 109.237 167.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.0 mp -135.97 172.06 13.56 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 107.264 -1.384 . . . . 25.0 107.264 179.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 41.6 ptt180 -78.21 -26.47 47.48 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 108.768 -0.827 . . . . 25.0 108.768 168.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -81.56 7.49 11.97 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 121.409 0.623 . . . . 25.0 111.085 178.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -66.07 -28.65 68.99 Favored 'General case' 0 C--O 1.242 0.695 0 CA-C-N 116.296 -0.411 . . . . 25.0 111.455 -179.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 39.4 p -144.65 102.17 3.77 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 115.826 -0.624 . . . . 25.0 110.972 179.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 19.5 t60 -149.81 151.43 33.53 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.831 -0.803 . . . . 25.0 108.831 -177.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 31.9 mtm180 -132.82 147.67 52.31 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 119.286 0.948 . . . . 25.0 108.542 175.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.8 m -137.58 164.91 38.08 Favored Pre-proline 0 C--N 1.322 -0.598 0 N-CA-C 107.729 -1.212 . . . . 25.0 107.729 -174.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -69.14 -10.57 29.42 Favored 'Trans proline' 0 CA--C 1.536 0.602 0 C-N-CA 115.751 -2.366 . . . . 25.0 112.946 175.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.0 mp -78.45 -9.23 59.22 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 122.4 0.28 . . . . 25.0 110.955 175.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 137.69 173.66 13.03 Favored Glycine 0 N--CA 1.455 -0.087 0 N-CA-C 112.003 -0.439 . . . . 25.0 112.003 -179.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.4 t -83.62 143.98 29.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 122.19 -0.594 . . . . 25.0 109.684 178.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -134.73 23.52 3.64 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 105.07 -2.196 . . . . 25.0 105.07 174.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 18.0 t -113.01 158.88 19.73 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-N 115.063 -0.971 . . . . 25.0 110.717 -175.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -86.23 155.25 20.78 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 114.867 -1.061 . . . . 50.0 112.418 -173.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 9.0 mp -117.16 121.91 42.6 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 104.28 -2.489 . . . . 25.0 104.28 173.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 31.5 mt -91.78 143.76 10.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 N-CA-C 102.777 -3.046 . . . . 25.0 102.777 176.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 60.0 mt -123.15 145.13 48.86 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 108.13 -1.063 . . . . 25.0 108.13 -173.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 53.07 44.99 29.66 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 122.129 0.966 . . . . 25.0 109.045 179.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -76.52 130.33 37.76 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.899 -1.046 . . . . 25.0 110.208 -177.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -102.47 94.05 4.62 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 115.72 -0.673 . . . . 25.0 109.594 177.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.407 ' HG2' ' HG1' ' A' ' 139' ' ' THR . 86.8 Cg_endo -69.67 4.79 1.95 Allowed 'Trans proline' 0 CA--C 1.537 0.653 0 N-CA-C 114.181 0.8 . . . . 25.0 114.181 176.61 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 20.2 t -95.08 -13.62 24.98 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 122.506 0.322 . . . . 25.0 110.711 174.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -141.03 -34.55 0.5 Allowed 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 115.929 1.826 . . . . 25.0 115.929 -173.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -84.97 156.76 21.03 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.589 0.589 . . . . 50.0 112.589 -169.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 39.5 tptt -123.56 149.73 44.9 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.23 0.612 . . . . 25.0 109.7 -176.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 25.8 mt -126.52 116.94 46.86 Favored 'Isoleucine or valine' 0 C--O 1.243 0.729 0 CA-C-O 121.042 0.449 . . . . 25.0 109.929 176.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -82.68 121.49 26.92 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 107.36 -1.348 . . . . 25.0 107.36 176.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 18.1 m -135.53 27.64 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 CA-C-O 121.865 0.841 . . . . 25.0 110.038 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.99 -25.61 67.73 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 114.855 1.428 . . . . 25.0 114.855 -174.323 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -75.36 -13.44 60.41 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 112.246 0.461 . . . . 25.0 112.246 177.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.7 mt -98.59 -36.6 9.84 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 106.924 -1.51 . . . . 25.0 106.924 -178.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 65.03 37.3 94.05 Favored Glycine 0 C--O 1.226 -0.346 0 N-CA-C 117.301 1.68 . . . . 25.0 117.301 168.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -57.62 129.87 43.83 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 117.827 0.813 . . . . 25.0 111.839 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 14.5 tt -92.28 -8.63 10.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.415 0.626 . . . . 25.0 111.081 -176.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -153.8 162.54 30.46 Favored Glycine 0 CA--C 1.509 -0.335 0 N-CA-C 111.251 -0.74 . . . . 25.0 111.251 178.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 75.3 mt -119.6 0.53 11.0 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 114.805 1.409 . . . . 25.0 114.805 -173.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -126.45 -29.74 0.89 Allowed Glycine 0 CA--C 1.523 0.59 0 N-CA-C 119.215 2.446 . . . . 25.0 119.215 -174.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -77.38 -26.41 51.85 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 118.872 1.336 . . . . 25.0 114.31 -171.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 76.09 16.3 80.79 Favored Glycine 0 C--O 1.225 -0.41 0 N-CA-C 118.645 2.218 . . . . 25.0 118.645 175.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -147.38 160.42 42.56 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 118.467 1.133 . . . . 25.0 109.225 178.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 51.01 50.98 18.01 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 114.028 1.122 . . . . 25.0 114.028 173.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 79.93 17.62 74.37 Favored Glycine 0 N--CA 1.453 -0.186 0 C-N-CA 120.422 -0.894 . . . . 25.0 113.92 177.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 54.5 p -121.14 143.69 48.97 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 106.882 -1.525 . . . . 25.0 106.882 175.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 89.8 mt -85.58 161.62 19.22 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.267 0.556 . . . . 25.0 112.353 -176.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -131.73 157.31 44.13 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 101.71 -3.441 . . . . 25.0 101.71 166.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 11.5 p -124.46 151.08 29.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.172 -0.677 . . . . 25.0 109.172 -176.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 64.9 p -146.72 162.7 37.97 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 106.734 -1.58 . . . . 25.0 106.734 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 88.8 mt -129.41 159.11 37.24 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.682 -0.488 . . . . 25.0 109.682 -178.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 27.2 t -77.75 160.5 28.37 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 105.286 -2.116 . . . . 25.0 105.286 169.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -71.47 13.61 0.23 Allowed 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 114.139 1.162 . . . . 25.0 114.139 -177.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 8.8 p30 -114.25 -9.43 12.84 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 107.798 -1.186 . . . . 25.0 107.798 178.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 72.0 5.06 60.87 Favored Glycine 0 CA--C 1.519 0.326 0 CA-C-N 116.11 -0.495 . . . . 25.0 112.468 -177.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 83.1 mt -97.27 -17.46 19.79 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-O 121.38 0.61 . . . . 25.0 112.476 -173.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 4.6 mtp180 -124.76 146.7 49.07 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.849 -0.797 . . . . 25.0 108.849 -175.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 28.1 m -135.28 138.14 43.2 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.711 -0.477 . . . . 25.0 109.711 -174.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -131.47 142.62 50.02 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.802 -0.814 . . . . 25.0 108.802 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.9 mp -127.24 146.55 50.38 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.604 -0.517 . . . . 25.0 109.604 -175.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 19.8 tttp -140.94 129.12 22.17 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 112.233 0.457 . . . . 25.0 112.233 -177.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 32.7 t -93.99 -14.49 25.85 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-O 121.565 0.697 . . . . 25.0 111.991 177.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 70.03 -55.77 0.59 Allowed 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 125.53 1.532 . . . . 25.0 114.864 178.49 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.406 ' C ' ' H ' ' A' ' 122' ' ' ASP . 33.2 m-20 48.78 41.54 18.33 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-O 123.569 1.652 . . . . 25.0 114.031 171.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -70.4 -1.81 11.81 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 113.25 -1.796 . . . . 25.0 113.27 -178.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.406 ' H ' ' C ' ' A' ' 120' ' ' ASP . 2.7 m-20 -66.95 -32.74 74.18 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-N 111.821 -2.445 . . . . 25.0 108.952 177.716 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -132.07 87.04 2.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.255 -0.884 . . . . 25.0 110.558 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 57.63 15.79 3.06 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 115.23 1.567 . . . . 25.0 115.23 175.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 67.58 34.0 82.73 Favored Glycine 0 C--O 1.233 0.068 0 C-N-CA 120.28 -0.962 . . . . 25.0 112.248 -179.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 89.5 mmt-85 -82.63 75.99 9.51 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.0 -0.741 . . . . 25.0 109.0 179.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 14.8 m -69.46 120.32 15.07 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 114.618 1.34 . . . . 25.0 114.618 -175.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -76.28 129.46 36.69 Favored 'General case' 0 C--O 1.242 0.696 0 N-CA-C 104.474 -2.417 . . . . 25.0 104.474 166.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -144.09 150.58 38.37 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 107.409 -1.33 . . . . 25.0 107.409 -175.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.9 mp -135.39 162.43 32.64 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 109.594 -0.521 . . . . 25.0 109.594 -177.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -138.2 144.62 40.76 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 121.119 0.485 . . . . 25.0 111.731 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 65.5 mt -130.74 133.21 45.83 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.529 -1.285 . . . . 25.0 107.529 176.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -120.99 143.53 48.98 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 106.682 -1.599 . . . . 25.0 106.682 173.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 73.47 29.28 64.12 Favored Glycine 0 C--O 1.225 -0.464 0 N-CA-C 109.995 -1.242 . . . . 25.0 109.995 -178.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -79.03 124.74 28.56 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.55 -0.537 . . . . 25.0 109.55 -178.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 77.7 m80 -76.15 84.42 2.99 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.326 0.584 . . . . 25.0 110.241 177.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -60.87 -27.46 68.14 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.116 -0.698 . . . . 25.0 109.116 175.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -60.81 -27.47 68.06 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 115.739 -0.664 . . . . 25.0 111.38 176.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' THR . . . . . 0.407 ' HG1' ' HG2' ' A' ' 80' ' ' PRO . 76.5 p -125.35 34.45 4.94 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 111.598 0.222 . . . . 25.0 111.598 178.586 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.0 pp -62.48 150.03 41.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.645 0.736 . . . . 25.0 112.844 -175.256 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 29.3 t -155.5 147.14 23.06 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.396 -1.335 . . . . 25.0 107.396 175.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -99.34 -7.96 25.54 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.241 0.543 . . . . 25.0 110.722 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -74.18 -6.35 74.27 Favored Glycine 0 N--CA 1.46 0.26 0 C-N-CA 121.182 -0.533 . . . . 25.0 113.171 -178.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -76.46 -13.74 60.09 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.55 0.69 . . . . 25.0 111.881 -179.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 62.9 mt -80.97 144.28 10.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 N-CA-C 104.695 -2.335 . . . . 25.0 104.695 179.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 6.0 p -51.16 -27.3 5.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 N-CA-C 115.311 1.597 . . . . 25.0 115.311 -173.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -71.27 -25.08 62.3 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 113.21 0.818 . . . . 25.0 113.21 -178.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . 53.35 -154.06 0.24 Allowed 'General case' 0 CA--C 1.539 0.538 0 O-C-N 123.542 0.526 . . . . 25.0 110.999 -178.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . 60.76 1.62 0.45 Allowed 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 116.346 1.98 . . . . 25.0 116.346 176.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -77.15 86.83 3.61 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.086 0.469 . . . . 25.0 111.312 -179.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 11.5 t -69.43 146.68 96.57 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 115.756 -0.657 . . . . 25.0 109.25 177.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -72.43 164.53 35.33 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 116.535 -1.843 . . . . 25.0 111.112 174.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.244 0 N-CA-C 105.546 -3.022 . . . . 25.0 105.546 179.408 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 206' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 118.534 -0.746 . . . . 25.0 109.548 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 66.56 159.62 0.13 Allowed 'General case' 0 N--CA 1.477 0.895 0 O-C-N 124.902 1.376 . . . . 25.0 110.929 -175.442 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -97.62 -166.14 32.06 Favored Glycine 0 C--O 1.227 -0.287 0 CA-C-O 121.749 0.638 . . . . 25.0 114.276 -175.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.8 t -125.01 -173.91 2.92 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 104.889 -2.263 . . . . 25.0 104.889 176.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -84.85 4.07 34.95 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 120.895 -1.128 . . . . 25.0 113.367 -176.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -85.24 -169.97 46.6 Favored Glycine 0 C--N 1.321 -0.284 0 N-CA-C 109.138 -1.585 . . . . 25.0 109.138 171.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 64.0 m-20 -86.42 130.42 34.51 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 118.69 1.245 . . . . 25.0 108.078 177.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -127.53 156.45 42.19 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 112.838 0.681 . . . . 50.0 112.838 -175.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 97.7 t -124.82 116.72 48.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 104.214 -2.513 . . . . 25.0 104.214 168.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 45.9 mt -122.13 134.9 54.74 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.673 -0.862 . . . . 25.0 108.673 -173.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 73.9 mt -130.74 124.96 57.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 107.611 -1.255 . . . . 25.0 107.611 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -85.75 157.03 30.75 Favored Glycine 0 N--CA 1.45 -0.433 0 CA-C-O 121.599 0.555 . . . . 25.0 113.395 -178.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 89.0 p -83.85 -178.87 7.13 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 123.391 0.677 . . . . 25.0 109.79 177.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -73.26 -14.79 61.39 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 115.367 1.618 . . . . 25.0 115.367 -176.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.0 m -84.31 168.03 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 109.182 -0.673 . . . . 25.0 109.182 178.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.49 137.49 26.12 Favored Glycine 0 N--CA 1.453 -0.203 0 N-CA-C 110.813 -0.915 . . . . 25.0 110.813 177.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -143.35 167.24 22.63 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.059 0.457 . . . . 50.0 111.11 -174.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.0 tm0? -121.73 126.17 48.29 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 103.302 -2.851 . . . . 25.0 103.302 170.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 61.7 mt -128.63 121.31 54.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 108.223 -1.029 . . . . 25.0 108.223 -175.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 94.2 p -110.63 138.58 46.83 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.701 -0.852 . . . . 25.0 108.701 177.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -91.03 -25.68 23.85 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.867 -0.682 . . . . 25.0 111.849 178.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 71.65 -159.48 53.82 Favored Glycine 0 C--O 1.247 0.914 0 N-CA-C 110.768 -0.933 . . . . 25.0 110.768 -176.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.5 -179.87 3.71 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.731 -0.84 . . . . 25.0 108.731 176.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.2 169.03 41.2 Favored Glycine 0 C--O 1.242 0.634 0 C-N-CA 121.051 -0.595 . . . . 25.0 111.908 -178.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -92.88 112.94 25.08 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.129 -1.063 . . . . 25.0 108.129 -178.149 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -122.69 167.93 12.84 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 114.485 1.291 . . . . 50.0 114.485 -170.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 66.0 ttt180 -125.67 129.5 49.7 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 105.695 -1.965 . . . . 25.0 105.695 166.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.5 mp -122.08 126.16 47.8 Favored 'General case' 0 C--N 1.319 -0.717 0 N-CA-C 105.881 -1.896 . . . . 25.0 105.881 178.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -119.38 135.64 54.64 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 104.439 -2.43 . . . . 25.0 104.439 173.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -93.34 -25.21 19.6 Favored Glycine 0 C--N 1.32 -0.351 0 C-N-CA 121.466 -0.397 . . . . 25.0 113.386 -176.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 71.23 -160.04 53.98 Favored Glycine 0 C--O 1.246 0.896 0 N-CA-C 110.499 -1.041 . . . . 25.0 110.499 -176.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.21 172.81 10.43 Favored 'General case' 0 C--O 1.243 0.762 0 N-CA-C 109.567 -0.531 . . . . 25.0 109.567 178.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 83.09 165.42 37.7 Favored Glycine 0 C--O 1.241 0.542 0 N-CA-C 110.716 -0.954 . . . . 25.0 110.716 -177.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -84.84 126.62 33.61 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 106.851 -1.537 . . . . 25.0 106.851 -179.224 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -130.94 152.65 50.03 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 113.587 0.958 . . . . 50.0 113.587 -170.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.1 mp -108.25 130.78 55.15 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 106.367 -1.716 . . . . 25.0 106.367 172.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.5 mp -127.44 113.4 16.14 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.203 -0.295 . . . . 25.0 110.203 -176.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -106.45 108.7 20.34 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 122.701 0.4 . . . . 25.0 109.938 -178.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -67.91 -44.8 77.58 Favored Glycine 0 C--O 1.249 1.05 0 C-N-CA 120.684 -0.769 . . . . 25.0 114.827 -174.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.49 -173.51 54.97 Favored Glycine 0 C--O 1.245 0.79 0 O-C-N 122.395 -0.473 . . . . 25.0 112.154 -178.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.05 161.6 12.94 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 122.452 -0.44 . . . . 25.0 109.972 177.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 86.84 174.97 49.32 Favored Glycine 0 N--CA 1.461 0.309 0 N-CA-C 109.523 -1.431 . . . . 25.0 109.523 -176.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.3 ptp180 -100.01 132.37 45.4 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 107.9 -1.148 . . . . 25.0 107.9 179.033 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -132.64 165.98 23.19 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 116.061 -0.518 . . . . 50.0 111.686 -168.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.09 123.97 39.53 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 105.268 -2.123 . . . . 25.0 105.268 177.757 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.1 mp -119.95 94.59 4.44 Favored 'General case' 0 C--N 1.322 -0.595 0 O-C-N 123.271 0.357 . . . . 25.0 110.249 -173.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.4 m -88.11 110.65 20.82 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.388 -0.597 . . . . 25.0 109.388 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -77.5 -41.28 20.83 Favored Glycine 0 C--O 1.248 1.018 0 C-N-CA 119.578 -1.296 . . . . 25.0 113.313 -176.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.91 -161.39 54.03 Favored Glycine 0 C--O 1.24 0.518 0 N-CA-C 111.342 -0.703 . . . . 25.0 111.342 -177.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.5 mt -62.96 155.08 28.44 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 121.105 0.478 . . . . 25.0 111.256 179.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 92.18 167.96 40.14 Favored Glycine 0 C--O 1.246 0.851 0 CA-C-N 115.195 -0.911 . . . . 25.0 111.034 -178.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -84.57 123.55 30.43 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 106.455 -1.683 . . . . 25.0 106.455 178.137 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -118.77 139.26 51.87 Favored 'General case' 0 C--N 1.319 -0.752 0 O-C-N 122.096 -0.377 . . . . 50.0 110.932 -174.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 29.3 m -108.27 103.93 13.21 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.857 -0.794 . . . . 25.0 108.857 178.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -86.81 124.25 32.84 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 104.833 -2.284 . . . . 25.0 104.833 178.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 52.3 ttt-85 -132.12 150.89 52.04 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.685 0.755 . . . . 25.0 112.809 -168.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 53.6 p90 -77.01 158.91 30.3 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.858 -1.064 . . . . 25.0 108.897 172.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -124.04 -41.54 2.21 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 107.505 -1.294 . . . . 25.0 107.505 169.084 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -126.21 170.42 11.86 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 106.702 -1.592 . . . . 25.0 106.702 176.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 39.3 ptt180 -69.87 -14.84 62.93 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-O 122.023 0.916 . . . . 25.0 109.776 171.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -81.3 3.07 25.39 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.419 -0.81 . . . . 25.0 111.214 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.81 -33.04 74.79 Favored 'General case' 0 CA--C 1.514 -0.423 0 C-N-CA 120.56 -0.456 . . . . 25.0 111.368 -179.043 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.433 ' HA ' ' HA ' ' A' ' 72' ' ' SER . 18.5 m -151.0 93.08 1.89 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.412 0.625 . . . . 25.0 111.615 175.378 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -143.94 151.75 40.18 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 107.759 -1.2 . . . . 25.0 107.759 -176.003 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 76.1 mtt180 -126.82 147.2 50.04 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 118.706 0.684 . . . . 25.0 111.443 179.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 27.2 t -151.82 154.66 33.19 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 106.394 -1.706 . . . . 25.0 106.394 -175.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_endo -68.8 -14.62 39.39 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 116.201 -2.066 . . . . 25.0 112.561 175.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 81.2 mt -79.07 -7.3 58.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.041 0.448 . . . . 25.0 110.805 177.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 147.0 152.64 5.69 Favored Glycine 0 N--CA 1.449 -0.472 0 N-CA-C 111.353 -0.699 . . . . 25.0 111.353 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.4 t -100.38 143.22 30.83 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.657 -0.868 . . . . 25.0 108.657 179.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -124.27 10.4 8.66 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.659 -0.867 . . . . 25.0 108.659 179.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.433 ' HA ' ' HA ' ' A' ' 63' ' ' SER . 83.1 p -67.25 137.22 55.98 Favored 'General case' 0 CA--C 1.508 -0.653 0 N-CA-C 108.894 -0.78 . . . . 25.0 108.894 179.637 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -96.4 157.32 15.95 Favored 'General case' 0 C--N 1.318 -0.772 0 O-C-N 123.487 0.492 . . . . 50.0 110.715 -177.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.3 mp -115.09 124.9 52.75 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 105.427 -2.064 . . . . 25.0 105.427 174.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 67.0 mt -92.28 144.69 8.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 N-CA-C 102.479 -3.156 . . . . 25.0 102.479 173.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -123.52 141.21 52.23 Favored 'General case' 0 C--N 1.314 -0.963 0 O-C-N 124.023 0.827 . . . . 25.0 109.005 -173.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 54.92 50.36 15.74 Favored 'General case' 0 C--O 1.241 0.608 0 O-C-N 124.453 1.096 . . . . 25.0 109.323 177.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -77.89 129.42 35.35 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.473 -1.239 . . . . 25.0 111.553 -176.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -103.48 94.19 5.7 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.747 -0.661 . . . . 25.0 109.414 177.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -64.21 -15.69 50.85 Favored 'Trans proline' 0 CA--C 1.532 0.376 0 N-CA-C 114.518 0.93 . . . . 25.0 114.518 -179.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.6 t -81.07 -11.11 59.58 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 112.926 0.713 . . . . 25.0 112.926 177.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 -137.44 -37.55 0.62 Allowed 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 114.247 1.203 . . . . 25.0 114.247 -172.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -84.65 162.42 19.73 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.13 0.49 . . . . 50.0 112.278 -171.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 48.1 tptt -129.92 144.02 51.1 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 123.11 0.564 . . . . 25.0 109.818 -178.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 43.7 mt -123.57 112.97 35.38 Favored 'Isoleucine or valine' 0 C--O 1.242 0.666 0 N-CA-C 109.74 -0.467 . . . . 25.0 109.74 177.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -94.1 123.9 37.77 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 110.019 -0.363 . . . . 25.0 110.019 177.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 28.5 m -127.23 22.08 2.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 CA-C-O 121.331 0.586 . . . . 25.0 112.303 -177.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.7 t -59.49 -28.39 66.98 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 115.151 1.537 . . . . 25.0 115.151 -174.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -76.61 -13.59 60.05 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 112.678 0.621 . . . . 25.0 112.678 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 23.4 mt -87.67 -51.45 5.87 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 105.206 -2.146 . . . . 25.0 105.206 178.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 80.1 111.54 0.27 Allowed Glycine 0 C--O 1.218 -0.86 0 CA-C-N 114.252 -1.34 . . . . 25.0 114.056 174.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -125.95 133.71 51.75 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 105.027 -2.212 . . . . 25.0 105.027 176.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 10.1 tp -114.78 -18.95 7.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 113.003 0.742 . . . . 25.0 113.003 -170.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -111.88 157.89 14.67 Favored Glycine 0 C--O 1.226 -0.361 0 C-N-CA 120.65 -0.786 . . . . 25.0 113.574 -178.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 77.6 mt -60.47 -32.26 71.24 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 115.299 1.592 . . . . 25.0 115.299 -174.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 143.77 85.97 0.08 OUTLIER Glycine 0 C--O 1.221 -0.715 0 N-CA-C 118.991 2.357 . . . . 25.0 118.991 178.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -118.94 -2.31 10.85 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 110.062 -0.347 . . . . 25.0 110.062 174.033 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 81.81 -1.62 85.76 Favored Glycine 0 N--CA 1.461 0.306 0 N-CA-C 116.688 1.435 . . . . 25.0 116.688 179.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -140.37 154.87 46.88 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.955 0.378 . . . . 25.0 110.242 -178.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 56.23 50.34 13.61 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 114.203 1.186 . . . . 25.0 114.203 174.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 81.6 21.82 61.22 Favored Glycine 0 CA--C 1.508 -0.385 0 C-N-CA 120.709 -0.757 . . . . 25.0 112.425 173.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 14.6 p -130.96 140.1 50.12 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 105.899 -1.889 . . . . 25.0 105.899 179.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 49.8 mt -89.12 157.59 18.25 Favored 'General case' 0 C--O 1.216 -0.677 0 N-CA-C 115.968 1.84 . . . . 25.0 115.968 -170.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -136.74 154.99 50.43 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 104.641 -2.355 . . . . 25.0 104.641 168.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 9.2 p -128.56 153.21 37.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 108.595 -0.891 . . . . 25.0 108.595 -177.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 40.7 p -148.71 161.91 40.8 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 106.098 -1.816 . . . . 25.0 106.098 177.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 84.2 mt -130.21 163.52 26.53 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.703 -0.481 . . . . 25.0 109.703 -176.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 18.0 p -77.57 169.55 18.11 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.045 -1.094 . . . . 25.0 108.045 170.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.92 -10.51 39.41 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 114.492 1.293 . . . . 25.0 114.492 -177.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 25.7 p30 -114.62 2.02 14.4 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.108 -0.701 . . . . 25.0 109.108 -178.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 68.43 4.74 39.56 Favored Glycine 0 CA--C 1.519 0.31 0 CA-C-N 115.966 -0.561 . . . . 25.0 114.043 -179.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 98.9 mt -84.67 -12.38 54.0 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 117.547 0.673 . . . . 25.0 112.353 -174.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 87.9 mtt180 -129.36 148.98 51.34 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.417 -0.957 . . . . 25.0 108.417 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 28.0 m -134.18 141.84 47.21 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 108.423 -0.954 . . . . 25.0 108.423 -175.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -130.55 142.89 50.47 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.709 -0.849 . . . . 25.0 108.709 178.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 37.0 mt -126.57 142.45 51.53 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 109.868 -0.419 . . . . 25.0 109.868 -177.293 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 39.1 tttt -142.65 136.17 28.82 Favored 'General case' 0 C--O 1.218 -0.592 0 O-C-N 123.216 0.322 . . . . 25.0 111.119 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 30.5 t -115.11 -27.99 7.12 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 113.81 1.041 . . . . 25.0 113.81 179.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 6.4 t80 47.59 55.19 8.7 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-O 122.792 1.282 . . . . 25.0 111.777 -179.198 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -63.23 146.24 53.83 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 113.206 -1.816 . . . . 25.0 114.835 -172.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -139.09 14.43 2.63 Favored 'General case' 0 C--O 1.221 -0.43 0 CA-C-O 122.289 1.043 . . . . 25.0 109.245 178.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -68.64 -30.58 69.31 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 113.61 -1.632 . . . . 25.0 112.514 -171.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -151.75 -30.8 0.16 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 114.414 1.264 . . . . 25.0 114.414 -178.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -124.8 -13.39 6.94 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 115.119 1.526 . . . . 25.0 115.119 -172.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 66.63 28.22 73.64 Favored Glycine 0 CA--C 1.519 0.332 0 C-N-CA 120.784 -0.722 . . . . 25.0 114.319 178.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 25.6 mmt180 -137.06 151.61 49.11 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 105.606 -1.998 . . . . 25.0 105.606 -179.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 53.0 p -92.94 132.41 37.08 Favored 'General case' 0 C--O 1.241 0.655 0 N-CA-C 116.813 2.153 . . . . 25.0 116.813 -167.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -88.72 129.58 35.51 Favored 'General case' 0 C--O 1.241 0.63 0 N-CA-C 104.472 -2.418 . . . . 25.0 104.472 164.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -144.82 145.23 31.54 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 106.179 -1.786 . . . . 25.0 106.179 -176.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.5 mp -131.02 169.76 15.41 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 122.528 0.331 . . . . 25.0 110.459 -174.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -147.03 154.09 40.79 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.841 -0.429 . . . . 25.0 109.841 175.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 56.2 mt -136.61 137.53 40.22 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 106.116 -1.809 . . . . 25.0 106.116 177.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -126.19 148.11 49.51 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 106.736 -1.579 . . . . 25.0 106.736 175.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 75.86 48.55 9.92 Favored Glycine 0 C--O 1.228 -0.249 0 N-CA-C 110.421 -1.071 . . . . 25.0 110.421 -178.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -87.08 126.98 35.11 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.944 0.72 . . . . 25.0 112.944 -175.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 75.2 m80 -82.29 69.63 9.07 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 107.37 -1.344 . . . . 25.0 107.37 167.056 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -61.6 -27.76 68.87 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.567 -0.742 . . . . 25.0 109.935 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.15 -25.62 67.13 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.93 -0.577 . . . . 25.0 111.388 176.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 82.7 p -123.44 29.84 6.49 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 111.814 0.302 . . . . 25.0 111.814 179.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.8 pp -61.17 156.6 17.95 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.383 0.611 . . . . 25.0 112.138 -176.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 44.8 t -149.34 155.09 39.95 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.858 -0.61 . . . . 25.0 109.472 -178.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -95.85 -10.76 28.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.565 0.697 . . . . 25.0 109.426 175.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -76.94 -17.26 80.01 Favored Glycine 0 CA--C 1.516 0.107 0 CA-C-N 115.948 -0.569 . . . . 25.0 114.289 -175.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -79.13 -2.31 40.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 122.327 -0.514 . . . . 25.0 112.113 -178.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 16.1 mt -89.38 152.43 3.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 106.511 -1.663 . . . . 25.0 106.511 178.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 7.4 p -50.12 -29.0 5.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 N-CA-C 115.025 1.491 . . . . 25.0 115.025 -177.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -66.94 -30.71 70.92 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.076 0.769 . . . . 25.0 113.076 -176.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . 52.51 -153.81 0.22 Allowed 'General case' 0 CA--C 1.538 0.497 0 O-C-N 123.583 0.552 . . . . 25.0 110.514 -178.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . 51.35 33.16 9.45 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 114.226 1.195 . . . . 25.0 114.226 175.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -76.83 72.61 3.44 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 120.988 0.423 . . . . 25.0 111.587 -179.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 12.0 t -69.66 144.73 94.21 Favored Pre-proline 0 C--N 1.322 -0.598 0 N-CA-C 109.16 -0.681 . . . . 25.0 109.16 178.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -74.17 167.9 26.08 Favored 'Trans proline' 0 C--O 1.237 0.468 0 C-N-CA 116.966 -1.556 . . . . 25.0 111.299 175.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.32 0 N-CA-C 105.405 -3.078 . . . . 25.0 105.405 178.698 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 206' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.506 0 CA-C-O 118.138 -0.934 . . . . 25.0 109.564 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 49.95 -174.04 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.008 0 O-C-N 124.885 1.366 . . . . 25.0 113.343 -173.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -111.83 -175.62 19.94 Favored Glycine 0 N--CA 1.453 -0.229 0 N-CA-C 111.765 -0.534 . . . . 25.0 111.765 -179.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 13.7 t -133.32 -179.58 5.6 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 106.608 -1.627 . . . . 25.0 106.608 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -77.65 128.24 33.77 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 107.653 -1.24 . . . . 25.0 107.653 177.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 128.88 -178.28 17.35 Favored Glycine 0 C--O 1.229 -0.172 0 N-CA-C 105.995 -2.842 . . . . 25.0 105.995 -169.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 27.8 m-20 -88.13 127.44 35.42 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 119.106 1.453 . . . . 25.0 110.246 -177.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -122.67 153.39 39.44 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 121.057 0.456 . . . . 50.0 111.572 -179.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 74.5 t -124.09 112.17 31.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 104.287 -2.486 . . . . 25.0 104.287 169.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.4 mt -121.69 135.41 54.96 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.236 -0.654 . . . . 25.0 109.236 -173.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 68.2 mt -130.69 123.54 54.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 108.022 -1.103 . . . . 25.0 108.022 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -88.26 160.78 30.95 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-O 121.652 0.584 . . . . 25.0 113.696 -178.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 18.6 t -87.28 -179.63 6.45 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 123.297 0.639 . . . . 25.0 110.03 178.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -77.5 -10.98 59.79 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 113.406 0.891 . . . . 25.0 113.406 -178.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 26.8 m -81.87 165.84 2.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 108.811 -0.811 . . . . 25.0 108.811 176.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.53 138.5 26.25 Favored Glycine 0 CA--C 1.518 0.272 0 N-CA-C 110.722 -0.951 . . . . 25.0 110.722 177.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -143.7 167.45 22.24 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.518 0.675 . . . . 50.0 112.308 -173.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -127.11 115.61 19.42 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 105.377 -2.082 . . . . 25.0 105.377 173.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 40.2 mt -129.17 116.77 41.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.372 0.605 . . . . 25.0 110.201 -173.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.6 p -104.83 137.3 42.83 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.138 -0.483 . . . . 25.0 110.001 178.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -91.02 -28.8 14.16 Favored Glycine 0 CA--C 1.519 0.294 0 N-CA-C 114.691 0.636 . . . . 25.0 114.691 -177.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.18 -164.4 54.42 Favored Glycine 0 C--O 1.243 0.7 0 C-N-CA 120.894 -0.67 . . . . 25.0 112.755 -178.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.35 169.1 17.0 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 121.994 -0.709 . . . . 25.0 109.349 177.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.66 166.68 41.15 Favored Glycine 0 C--O 1.24 0.502 0 CA-C-N 116.035 -0.529 . . . . 25.0 112.091 -179.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -83.58 113.08 20.58 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 107.829 -1.175 . . . . 25.0 107.829 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -119.31 163.38 17.24 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.649 0.611 . . . . 50.0 112.649 -173.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.6 ttt85 -130.05 124.37 32.69 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 105.169 -2.16 . . . . 25.0 105.169 169.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.5 mp -123.9 130.41 52.55 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 107.652 -1.24 . . . . 25.0 107.652 -177.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -116.49 137.24 52.33 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 104.751 -2.314 . . . . 25.0 104.751 170.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -96.02 -27.16 10.47 Favored Glycine 0 C--O 1.228 -0.261 0 C-N-CA 121.42 -0.419 . . . . 25.0 112.301 -178.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 73.86 -166.46 54.69 Favored Glycine 0 C--O 1.244 0.737 0 N-CA-C 110.935 -0.866 . . . . 25.0 110.935 -177.042 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.4 176.31 5.44 Favored 'General case' 0 C--O 1.246 0.918 0 O-C-N 122.114 -0.639 . . . . 25.0 109.727 177.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 81.81 164.45 33.61 Favored Glycine 0 C--O 1.239 0.439 0 N-CA-C 110.078 -1.209 . . . . 25.0 110.078 -177.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -81.48 131.72 35.29 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 107.098 -1.445 . . . . 25.0 107.098 -179.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -133.07 150.21 52.11 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 113.908 1.077 . . . . 50.0 113.908 -172.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.6 mp -111.07 126.43 54.81 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 106.724 -1.584 . . . . 25.0 106.724 176.207 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.7 mp -130.22 130.48 44.69 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.144 0.424 . . . . 25.0 112.144 -176.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -112.01 126.36 55.07 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 109.61 -0.515 . . . . 25.0 109.61 177.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -78.89 -52.85 4.78 Favored Glycine 0 C--O 1.249 1.038 0 C-N-CA 120.36 -0.924 . . . . 25.0 114.519 -177.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.92 -178.57 53.73 Favored Glycine 0 C--O 1.247 0.941 0 O-C-N 122.155 -0.615 . . . . 25.0 112.571 -178.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.56 160.73 16.01 Favored 'General case' 0 C--O 1.241 0.613 0 N-CA-C 109.447 -0.575 . . . . 25.0 109.447 177.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 87.21 168.77 45.11 Favored Glycine 0 N--CA 1.462 0.368 0 N-CA-C 109.38 -1.488 . . . . 25.0 109.38 -175.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.2 ptp85 -92.04 133.13 36.01 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 107.474 -1.306 . . . . 25.0 107.474 179.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -129.23 161.94 29.02 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.16 0.505 . . . . 50.0 111.533 -170.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -128.03 121.89 30.87 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 104.174 -2.528 . . . . 25.0 104.174 178.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.4 mp -124.82 99.78 6.31 Favored 'General case' 0 C--N 1.321 -0.631 0 O-C-N 123.366 0.416 . . . . 25.0 111.286 -173.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 16.7 m -87.97 112.56 22.72 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.706 -0.479 . . . . 25.0 109.706 -179.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -77.92 -43.37 14.33 Favored Glycine 0 C--O 1.24 0.521 0 C-N-CA 119.843 -1.17 . . . . 25.0 111.61 -178.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.38 -160.94 53.55 Favored Glycine 0 C--O 1.238 0.378 0 N-CA-C 111.077 -0.809 . . . . 25.0 111.077 -179.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 76.8 mt -62.05 153.84 28.57 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.123 0.487 . . . . 25.0 111.134 178.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 92.4 167.22 39.54 Favored Glycine 0 C--O 1.241 0.569 0 CA-C-N 115.209 -0.905 . . . . 25.0 111.046 -178.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -82.92 128.69 34.68 Favored 'General case' 0 C--O 1.218 -0.564 0 N-CA-C 106.29 -1.745 . . . . 25.0 106.29 177.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -126.14 145.34 50.4 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.874 -0.417 . . . . 50.0 109.874 -175.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.7 t -117.61 129.78 55.97 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 108.708 -0.849 . . . . 25.0 108.708 176.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -111.93 109.64 19.54 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 105.982 -1.859 . . . . 25.0 105.982 -178.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 59.9 ttt180 -112.79 145.82 39.91 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.81 -0.632 . . . . 25.0 111.987 -170.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 26.2 p90 -74.03 144.51 45.06 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 107.736 -1.209 . . . . 25.0 107.736 174.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -103.61 -39.97 6.5 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 106.494 -1.669 . . . . 25.0 106.494 170.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -128.34 161.11 30.2 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 106.698 -1.593 . . . . 25.0 106.698 175.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 7.6 ptt85 -64.45 -22.34 66.93 Favored 'General case' 0 C--O 1.215 -0.727 0 CA-C-O 121.463 0.649 . . . . 25.0 110.364 175.002 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -81.89 1.04 36.96 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.978 -0.556 . . . . 25.0 112.395 -175.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -61.21 -30.92 70.72 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.804 0.668 . . . . 25.0 112.804 -176.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 40.5 p -118.55 22.88 11.83 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 122.257 1.027 . . . . 25.0 112.325 -176.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 46.9 t-80 -89.67 145.64 25.08 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 115.356 -0.838 . . . . 25.0 112.853 -172.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -128.38 157.31 41.38 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 109.295 -0.632 . . . . 25.0 109.295 176.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 75.4 p -149.3 165.69 17.06 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 107.383 -1.34 . . . . 25.0 107.383 -178.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -70.27 -13.74 33.71 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 116.201 -2.066 . . . . 25.0 112.604 175.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 80.1 mt -83.16 -1.79 53.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.152 0.501 . . . . 25.0 110.3 177.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 143.27 151.82 5.55 Favored Glycine 0 N--CA 1.449 -0.49 0 CA-C-O 121.881 0.711 . . . . 25.0 112.959 178.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.94 130.95 34.78 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 107.994 -1.113 . . . . 25.0 107.994 176.386 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -120.66 14.12 11.73 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.887 -0.783 . . . . 25.0 108.887 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 89.7 p -73.63 169.17 17.83 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.079 -0.964 . . . . 25.0 109.069 179.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -111.96 158.3 19.67 Favored 'General case' 0 CA--C 1.51 -0.576 0 N-CA-C 113.032 0.753 . . . . 50.0 113.032 -175.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 9.6 mp -115.01 131.7 56.84 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 105.803 -1.925 . . . . 25.0 105.803 174.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 55.8 mt -104.43 144.32 14.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 N-CA-C 104.216 -2.512 . . . . 25.0 104.216 176.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -124.45 150.39 45.73 Favored 'General case' 0 C--N 1.316 -0.874 0 C-N-CA 123.421 0.688 . . . . 25.0 109.544 -174.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 53.49 50.36 17.52 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-O 122.12 0.962 . . . . 25.0 109.818 178.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -83.98 129.63 34.91 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.671 -1.15 . . . . 25.0 112.131 -175.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -102.33 101.09 17.67 Favored Pre-proline 0 C--N 1.324 -0.502 0 N-CA-C 108.997 -0.742 . . . . 25.0 108.997 177.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -68.22 -7.56 20.36 Favored 'Trans proline' 0 N--CA 1.474 0.336 0 N-CA-C 115.265 1.217 . . . . 25.0 115.265 -177.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 42.1 t -94.43 -9.93 34.05 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 111.965 0.357 . . . . 25.0 111.965 177.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -136.22 -34.56 0.79 Allowed 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 114.795 1.406 . . . . 25.0 114.795 -171.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -83.22 156.96 22.89 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.373 0.606 . . . . 50.0 111.791 -171.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 33.6 tptt -127.76 144.01 51.11 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.98 -0.555 . . . . 25.0 111.423 -175.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 73.4 mt -123.11 113.05 36.23 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 N-CA-C 109.026 -0.731 . . . . 25.0 109.026 178.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -97.66 108.67 21.43 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.622 -0.717 . . . . 25.0 109.716 -179.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.6 m -133.0 32.07 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 CA-C-O 122.178 0.99 . . . . 25.0 110.105 -177.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.23 -21.41 59.51 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 114.874 1.435 . . . . 25.0 114.874 -176.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.67 -20.56 64.45 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 113.515 0.931 . . . . 25.0 113.515 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 11.0 mt -88.96 -41.4 12.41 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.786 0.803 . . . . 25.0 109.067 -176.028 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 91.47 125.59 3.41 Favored Glycine 0 C--O 1.223 -0.534 0 CA-C-N 113.854 -1.521 . . . . 25.0 112.347 178.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -136.33 145.24 45.22 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 106.525 -1.657 . . . . 25.0 106.525 -179.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 7.6 tp -152.0 -18.77 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.776 0 N-CA-C 114.581 1.326 . . . . 25.0 114.581 178.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -108.5 165.12 12.65 Favored Glycine 0 C--O 1.223 -0.535 0 N-CA-C 116.314 1.286 . . . . 25.0 116.314 -175.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 85.8 mt -62.9 -34.88 78.35 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 116.68 2.104 . . . . 25.0 116.68 -172.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 145.21 78.51 0.03 OUTLIER Glycine 0 C--O 1.222 -0.62 0 N-CA-C 118.555 2.182 . . . . 25.0 118.555 -178.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -114.24 -6.08 13.0 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 120.773 0.321 . . . . 25.0 110.364 175.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 82.68 -1.24 88.44 Favored Glycine 0 N--CA 1.459 0.224 0 N-CA-C 115.46 0.944 . . . . 25.0 115.46 -178.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -137.38 154.52 49.99 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.677 -0.49 . . . . 25.0 109.677 -179.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 57.3 48.22 15.36 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 114.24 1.2 . . . . 25.0 114.24 175.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 76.83 30.26 56.22 Favored Glycine 0 C--O 1.237 0.291 0 C-N-CA 120.573 -0.823 . . . . 25.0 112.234 173.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 18.5 p -134.19 141.78 47.18 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 105.042 -2.207 . . . . 25.0 105.042 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 31.8 mt -89.41 151.5 22.0 Favored 'General case' 0 C--O 1.215 -0.744 0 N-CA-C 115.947 1.832 . . . . 25.0 115.947 -170.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -133.04 149.26 52.2 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 104.677 -2.342 . . . . 25.0 104.677 166.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 7.2 p -131.41 150.82 34.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 109.465 -0.569 . . . . 25.0 109.465 -175.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 35.7 m -143.0 157.08 44.88 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 105.948 -1.871 . . . . 25.0 105.948 177.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 95.8 mt -129.12 160.27 33.36 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 110.015 -0.365 . . . . 25.0 110.015 -178.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 28.4 t -75.15 163.47 27.52 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 105.871 -1.9 . . . . 25.0 105.871 169.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.88 -6.57 12.65 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 113.913 1.079 . . . . 25.0 113.913 -177.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 18.2 p30 -111.36 -1.78 15.86 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.082 -0.71 . . . . 25.0 109.082 -179.242 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 70.37 1.78 37.81 Favored Glycine 0 CA--C 1.519 0.29 0 CA-C-N 115.935 -0.575 . . . . 25.0 113.55 -177.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 95.0 mt -82.86 -18.93 38.6 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 117.377 0.588 . . . . 25.0 112.204 -173.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -125.54 147.35 49.3 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.556 -0.905 . . . . 25.0 108.556 -179.255 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 33.3 m -135.35 141.86 45.65 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.93 -0.767 . . . . 25.0 108.93 -173.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -130.33 138.72 50.58 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 107.692 -1.225 . . . . 25.0 107.692 -178.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.6 mp -128.19 144.71 51.14 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.524 0.202 . . . . 25.0 111.189 -176.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 46.1 mmtt -127.44 153.93 45.68 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 106.296 -1.742 . . . . 25.0 106.296 179.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 18.8 t -149.93 -32.14 0.2 Allowed 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 115.166 1.543 . . . . 25.0 115.166 177.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.412 ' HA ' ' HA ' ' A' ' 127' ' ' SER . 0.2 OUTLIER 52.36 49.81 19.69 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-O 122.518 1.152 . . . . 25.0 109.876 179.852 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -55.62 116.02 2.66 Favored 'General case' 0 C--O 1.241 0.644 0 N-CA-C 115.315 1.598 . . . . 25.0 115.315 -170.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -119.9 8.21 11.05 Favored 'General case' 0 CA--C 1.511 -0.519 0 N-CA-C 113.856 1.058 . . . . 25.0 113.856 -176.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -81.11 -37.88 28.17 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 115.017 -0.992 . . . . 25.0 110.837 -178.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -130.41 -3.56 4.32 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 113.893 1.072 . . . . 25.0 113.893 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -129.97 -48.7 1.12 Allowed 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 116.068 1.877 . . . . 25.0 116.068 -177.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 75.51 33.28 52.99 Favored Glycine 0 C--O 1.237 0.342 0 N-CA-C 110.393 -1.083 . . . . 25.0 110.393 -175.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 -138.1 160.54 39.13 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 107.94 -1.133 . . . . 25.0 107.94 -176.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.412 ' HA ' ' HA ' ' A' ' 119' ' ' TYR . 18.9 t -91.32 141.23 28.99 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.343 0.592 . . . . 25.0 110.508 179.206 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -140.26 151.65 45.29 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 106.019 -1.845 . . . . 25.0 106.019 178.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -141.18 150.26 42.51 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.554 -0.906 . . . . 25.0 108.554 179.261 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 5.5 mp -128.01 159.73 34.11 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.267 -1.012 . . . . 25.0 108.267 178.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -142.38 149.21 39.08 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.03 -1.1 . . . . 25.0 108.03 177.207 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 36.9 mt -135.11 138.82 44.15 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 105.623 -1.991 . . . . 25.0 105.623 179.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -126.71 150.44 49.04 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 106.275 -1.75 . . . . 25.0 106.275 176.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 73.25 46.41 27.08 Favored Glycine 0 C--O 1.228 -0.227 0 C-N-CA 120.129 -1.034 . . . . 25.0 110.754 -179.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 57.6 m-80 -89.19 135.95 33.28 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 113.982 1.104 . . . . 25.0 113.982 -174.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 70.2 m80 -84.16 64.83 8.46 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 107.3 -1.371 . . . . 25.0 107.3 166.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -62.49 -26.12 68.37 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 115.983 -0.553 . . . . 25.0 110.318 -179.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -62.24 -24.65 67.37 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 115.997 -0.547 . . . . 25.0 111.516 176.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 70.4 p -121.77 29.43 7.14 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 120.51 0.195 . . . . 25.0 111.518 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.1 pp -57.94 149.93 21.73 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.674 0.749 . . . . 25.0 112.283 -176.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 30.5 t -154.11 155.03 34.65 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 106.926 -1.509 . . . . 25.0 106.926 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -90.57 2.92 55.36 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 120.834 0.349 . . . . 25.0 111.017 -179.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -63.01 -14.79 54.57 Favored Glycine 0 CA--C 1.521 0.423 0 N-CA-C 115.67 1.028 . . . . 25.0 115.67 -176.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -65.35 -23.23 66.94 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 113.464 0.913 . . . . 25.0 113.464 -178.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 67.0 mt -72.83 125.15 31.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 120.903 0.382 . . . . 25.0 110.889 -170.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 10.8 p -60.7 -27.6 41.1 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 N-CA-C 113.296 0.85 . . . . 25.0 113.296 -178.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -71.33 -19.06 62.35 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 111.596 0.221 . . . . 25.0 111.596 179.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . 55.72 -156.74 0.25 Allowed 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.369 0.668 . . . . 25.0 110.586 -178.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . 53.74 31.16 12.38 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.799 0.84 . . . . 25.0 113.089 179.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -65.83 151.44 46.67 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.074 -0.512 . . . . 25.0 110.093 -179.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 8.8 t -65.67 142.81 98.38 Favored Pre-proline 0 CA--C 1.546 0.79 0 N-CA-C 109.128 -0.693 . . . . 25.0 109.128 179.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -78.77 175.8 10.58 Favored 'Trans proline' 0 C--N 1.348 0.549 0 O-C-N 121.756 0.345 . . . . 25.0 112.808 -179.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.338 0 N-CA-C 105.172 -3.171 . . . . 25.0 105.172 176.162 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 206' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.652 0 N-CA-C 109.854 -0.424 . . . . 25.0 109.854 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.6 pm0 -156.27 157.95 36.67 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 106.036 -1.838 . . . . 25.0 106.036 -178.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -107.76 -168.6 21.68 Favored Glycine 0 C--O 1.229 -0.187 0 O-C-N 123.448 0.467 . . . . 25.0 113.791 -176.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.6 t -124.2 -175.27 3.2 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 105.479 -2.045 . . . . 25.0 105.479 177.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -81.94 3.26 27.07 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 120.837 -1.164 . . . . 25.0 113.054 -177.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -85.37 -166.53 42.03 Favored Glycine 0 CA--C 1.52 0.402 0 N-CA-C 109.438 -1.465 . . . . 25.0 109.438 171.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 61.2 m-20 -86.83 132.93 33.7 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 118.352 1.076 . . . . 25.0 108.499 177.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -128.67 149.14 50.8 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 120.88 0.371 . . . . 50.0 111.79 -178.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 97.8 t -125.86 112.6 31.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 104.779 -2.304 . . . . 25.0 104.779 171.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 89.6 mt -121.61 147.97 45.15 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.738 0.304 . . . . 25.0 111.254 -174.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 41.2 mm -125.68 132.37 70.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 106.066 -1.828 . . . . 25.0 106.066 178.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -85.87 177.26 49.53 Favored Glycine 0 C--O 1.227 -0.324 0 C-N-CA 121.027 -0.606 . . . . 25.0 111.954 179.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 72.7 p -117.44 178.56 4.34 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.312 -0.996 . . . . 25.0 108.312 179.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -71.82 -19.9 61.92 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 114.549 1.314 . . . . 25.0 114.549 -175.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.8 m -79.6 166.1 2.64 Favored 'Isoleucine or valine' 0 C--O 1.24 0.592 0 N-CA-C 109.418 -0.586 . . . . 25.0 109.418 178.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.75 138.23 26.87 Favored Glycine 0 N--CA 1.452 -0.26 0 N-CA-C 110.269 -1.133 . . . . 25.0 110.269 177.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -140.44 159.47 42.12 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.409 0.623 . . . . 50.0 112.455 -174.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -118.78 108.57 15.02 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 104.952 -2.24 . . . . 25.0 104.952 172.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 78.7 mt -115.41 124.54 72.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 108.77 -0.826 . . . . 25.0 108.77 -172.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 57.3 p -116.37 133.16 56.33 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.262 0.553 . . . . 25.0 110.315 179.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -91.96 -29.38 11.72 Favored Glycine 0 C--O 1.228 -0.245 0 CA-C-N 115.932 -0.576 . . . . 25.0 112.864 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.48 -157.42 53.49 Favored Glycine 0 C--O 1.243 0.691 0 C-N-CA 120.956 -0.64 . . . . 25.0 111.769 -178.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.52 -179.41 2.99 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 121.788 -0.83 . . . . 25.0 109.351 177.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.77 168.08 36.14 Favored Glycine 0 C--O 1.244 0.751 0 C-N-CA 121.111 -0.566 . . . . 25.0 112.208 -178.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.44 ' HB3' HH12 ' A' ' 45' ' ' ARG . 39.1 m-20 -88.43 114.2 24.8 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.539 -0.911 . . . . 25.0 108.539 -178.526 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -118.88 162.52 18.36 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 113.749 1.018 . . . . 50.0 113.749 -173.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.7 ttp180 -129.23 116.55 19.33 Favored 'General case' 0 CA--C 1.508 -0.642 0 N-CA-C 104.797 -2.298 . . . . 25.0 104.797 169.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 71.5 mt -112.91 147.37 37.2 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 108.446 -0.946 . . . . 25.0 108.446 -176.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -142.7 137.76 30.09 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 104.851 -2.277 . . . . 25.0 104.851 175.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -101.05 -21.86 11.39 Favored Glycine 0 N--CA 1.449 -0.438 0 O-C-N 123.359 0.412 . . . . 25.0 112.23 -178.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 66.16 -156.67 49.94 Favored Glycine 0 C--O 1.242 0.598 0 C-N-CA 120.78 -0.724 . . . . 25.0 111.448 -176.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.96 172.88 10.12 Favored 'General case' 0 C--O 1.241 0.638 0 O-C-N 121.949 -0.736 . . . . 25.0 110.532 178.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.97 166.82 36.52 Favored Glycine 0 C--O 1.234 0.11 0 N-CA-C 110.61 -0.996 . . . . 25.0 110.61 -177.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -84.06 132.9 34.68 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 107.705 -1.22 . . . . 25.0 107.705 -178.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -135.83 154.74 51.09 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 114.458 1.281 . . . . 50.0 114.458 -171.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.4 mp -113.11 129.04 56.64 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 106.521 -1.659 . . . . 25.0 106.521 173.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.1 mp -126.1 106.98 9.97 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.914 0.388 . . . . 25.0 110.992 -178.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -95.13 107.99 20.08 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 108.863 -0.791 . . . . 25.0 108.863 -178.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -67.96 -47.73 58.36 Favored Glycine 0 C--O 1.248 0.984 0 N-CA-C 115.542 0.977 . . . . 25.0 115.542 -174.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.29 -176.84 53.96 Favored Glycine 0 C--O 1.236 0.256 0 O-C-N 122.313 -0.522 . . . . 25.0 113.003 -178.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.12 161.9 12.63 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 122.043 -0.68 . . . . 25.0 110.309 178.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.01 167.74 42.4 Favored Glycine 0 C--O 1.241 0.575 0 N-CA-C 110.483 -1.047 . . . . 25.0 110.483 -177.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.6 ptp85 -88.32 125.78 34.86 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 106.736 -1.579 . . . . 25.0 106.736 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -127.24 162.75 25.47 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 121.147 0.499 . . . . 50.0 111.367 -172.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.44 HH12 ' HB3' ' A' ' 25' ' ' ASP . 1.0 OUTLIER -127.53 123.04 34.9 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 103.891 -2.633 . . . . 25.0 103.891 177.782 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.1 mp -121.76 115.85 23.43 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.694 -0.484 . . . . 25.0 109.694 -172.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.4 m -108.12 117.32 33.84 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.925 -0.769 . . . . 25.0 108.925 -178.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -80.76 -39.0 14.68 Favored Glycine 0 C--O 1.237 0.343 0 C-N-CA 119.608 -1.282 . . . . 25.0 113.885 -176.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.34 -166.26 54.22 Favored Glycine 0 C--O 1.242 0.611 0 N-CA-C 110.652 -0.979 . . . . 25.0 110.652 -176.477 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.6 mt -65.44 156.82 31.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 122.521 -0.399 . . . . 25.0 109.945 177.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 93.46 168.97 38.76 Favored Glycine 0 C--O 1.245 0.811 0 N-CA-C 110.804 -0.918 . . . . 25.0 110.804 -178.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.89 125.5 32.06 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 106.779 -1.563 . . . . 25.0 106.779 178.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -125.14 145.96 49.71 Favored 'General case' 0 C--N 1.317 -0.845 0 O-C-N 122.07 -0.394 . . . . 50.0 110.49 -174.477 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.3 t -117.04 132.02 56.79 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.555 -0.906 . . . . 25.0 108.555 173.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -107.68 124.84 50.59 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 105.338 -2.097 . . . . 25.0 105.338 -178.012 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 13.4 ttt180 -127.19 149.06 50.15 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 114.577 1.325 . . . . 25.0 114.577 -163.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -75.93 165.09 25.48 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.243 -1.344 . . . . 25.0 109.245 171.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -134.19 -28.44 1.33 Allowed 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 109.393 -0.595 . . . . 25.0 109.393 166.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 39.5 tp -141.93 160.38 40.32 Favored 'General case' 0 C--O 1.218 -0.573 0 N-CA-C 107.215 -1.402 . . . . 25.0 107.215 178.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -64.12 -21.21 66.45 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 121.482 -0.761 . . . . 25.0 112.296 177.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -84.05 10.62 9.57 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.157 0.503 . . . . 25.0 111.707 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.64 -40.69 84.15 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 113.84 1.052 . . . . 25.0 113.84 -178.699 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 70.6 m -140.88 98.76 3.46 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.542 -0.91 . . . . 25.0 108.542 -179.014 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 15.7 t-80 -147.49 162.63 38.67 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 107.921 -1.14 . . . . 25.0 107.921 -171.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -135.99 159.04 42.9 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 107.945 -1.131 . . . . 25.0 107.945 171.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 88.6 p -154.73 169.71 9.74 Favored Pre-proline 0 C--N 1.323 -0.575 0 N-CA-C 106.102 -1.814 . . . . 25.0 106.102 -177.193 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -70.59 -7.83 22.22 Favored 'Trans proline' 0 CA--C 1.536 0.622 0 C-N-CA 115.53 -2.514 . . . . 25.0 113.68 177.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.7 mp -80.07 -7.18 58.73 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 109.948 -0.39 . . . . 25.0 109.948 176.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 135.85 174.17 13.28 Favored Glycine 0 N--CA 1.45 -0.395 0 CA-C-O 121.701 0.612 . . . . 25.0 112.047 178.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.1 t -82.66 145.93 29.37 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.922 -0.77 . . . . 25.0 108.922 177.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -132.42 17.06 4.44 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 106.787 -1.56 . . . . 25.0 106.787 174.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 88.4 p -77.01 150.57 35.81 Favored 'General case' 0 CA--C 1.516 -0.346 0 N-CA-C 109.091 -0.707 . . . . 25.0 109.091 -179.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -92.55 162.06 14.35 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 123.35 0.406 . . . . 50.0 111.608 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.1 tp -125.7 131.05 52.65 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.809 -1.182 . . . . 25.0 107.809 178.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 24.5 mt -108.08 141.52 23.11 Favored 'Isoleucine or valine' 0 C--O 1.238 0.478 0 CA-C-O 121.447 0.642 . . . . 25.0 109.318 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -126.85 155.93 42.16 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.078 -1.419 . . . . 25.0 107.459 -177.269 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 55.47 36.0 26.23 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.111 0.964 . . . . 25.0 111.322 176.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -83.42 123.24 29.49 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.142 -0.936 . . . . 25.0 109.37 178.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -100.77 110.25 60.17 Favored Pre-proline 0 C--N 1.318 -0.766 0 N-CA-C 106.664 -1.606 . . . . 25.0 106.664 177.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -68.1 -18.59 45.67 Favored 'Trans proline' 0 C--O 1.222 -0.283 0 N-CA-C 115.868 1.449 . . . . 25.0 115.868 -171.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.3 t -86.49 -11.97 50.23 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.339 0.496 . . . . 25.0 112.339 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 83.7 mm-40 -132.23 -36.19 1.16 Allowed 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 115.101 1.519 . . . . 25.0 115.101 -171.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -84.85 161.21 19.99 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.693 -0.484 . . . . 50.0 109.693 -176.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -141.23 156.99 45.83 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 122.266 -0.272 . . . . 25.0 111.602 -179.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 19.3 mt -123.01 121.31 62.84 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 CA-C-O 120.861 0.362 . . . . 25.0 110.435 178.18 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -95.38 122.28 37.93 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.251 -1.018 . . . . 25.0 108.251 176.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 24.5 m -129.75 26.05 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 CA-C-O 121.409 0.623 . . . . 25.0 112.345 -176.019 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 35.9 t -57.5 -34.79 69.43 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 114.544 1.313 . . . . 25.0 114.544 -175.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.98 -18.45 61.98 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 113.065 0.765 . . . . 25.0 113.065 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 12.8 mt -86.58 -29.89 22.27 Favored 'General case' 0 C--O 1.217 -0.605 0 N-CA-C 105.316 -2.105 . . . . 25.0 105.316 178.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 79.31 30.74 44.5 Favored Glycine 0 C--O 1.225 -0.449 0 CA-C-N 114.097 -1.41 . . . . 25.0 116.232 167.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -62.93 128.36 35.53 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.411 -1.329 . . . . 25.0 107.411 177.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 10.6 tp -126.19 -25.73 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 112.611 0.597 . . . . 25.0 112.611 -172.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -98.23 151.04 19.54 Favored Glycine 0 CA--C 1.508 -0.35 0 C-N-CA 120.08 -1.057 . . . . 25.0 111.523 178.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 82.0 mt -62.83 -28.39 69.98 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 113.97 1.1 . . . . 25.0 113.97 -175.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 150.9 72.34 0.01 OUTLIER Glycine 0 C--O 1.223 -0.571 0 N-CA-C 118.167 2.027 . . . . 25.0 118.167 177.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -98.62 -5.07 32.53 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 107.956 -1.127 . . . . 25.0 107.956 173.012 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 76.19 7.62 84.73 Favored Glycine 0 C--O 1.223 -0.548 0 N-CA-C 116.549 1.38 . . . . 25.0 116.549 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.434 ' HA ' ' HB3' ' A' ' 119' ' ' TYR . 98.3 m-85 -142.37 154.01 44.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 117.842 0.821 . . . . 25.0 111.662 179.425 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 49.64 57.43 6.53 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 114.568 1.321 . . . . 25.0 114.568 171.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.1 18.21 61.4 Favored Glycine 0 C--O 1.24 0.529 0 C-N-CA 120.147 -1.025 . . . . 25.0 113.042 174.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 16.3 p -132.66 144.88 50.63 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 104.85 -2.278 . . . . 25.0 104.85 177.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 86.8 mt -96.67 156.19 16.45 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 117.453 2.39 . . . . 25.0 117.453 -167.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -132.7 156.17 47.5 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 104.67 -2.344 . . . . 25.0 104.67 169.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 11.0 p -126.36 151.57 32.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 108.782 -0.822 . . . . 25.0 108.782 -178.369 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 61.4 p -152.59 170.07 21.11 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 107.75 -1.204 . . . . 25.0 107.75 -178.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 44.9 mt -130.67 163.97 26.05 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.624 -0.51 . . . . 25.0 109.624 -178.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 99.7 p -76.62 170.08 17.08 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 106.796 -1.557 . . . . 25.0 106.796 170.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -56.34 -34.39 66.54 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 113.595 0.961 . . . . 25.0 113.595 -176.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -99.8 2.09 43.72 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.085 0.469 . . . . 25.0 111.052 -175.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 74.27 0.6 57.86 Favored Glycine 0 C--O 1.226 -0.38 0 C-N-CA 121.298 -0.477 . . . . 25.0 112.319 -174.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 74.9 mt -71.32 -6.16 37.85 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 114.31 1.226 . . . . 25.0 114.31 -175.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 79.6 mtt180 -149.6 150.99 33.06 Favored 'General case' 0 CA--C 1.509 -0.608 0 N-CA-C 108.181 -1.044 . . . . 25.0 108.181 173.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 17.9 m -119.25 144.31 46.83 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 106.216 -1.772 . . . . 25.0 106.216 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -132.43 147.82 52.39 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.133 -0.692 . . . . 25.0 109.133 179.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.6 mp -128.22 145.89 50.9 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 107.864 -1.161 . . . . 25.0 107.864 178.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 38.8 tttt -138.43 138.45 38.19 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.91 -0.404 . . . . 25.0 109.91 179.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.3 t -98.47 -17.22 18.88 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 121.455 0.645 . . . . 25.0 110.862 178.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.434 ' HB3' ' HA ' ' A' ' 99' ' ' TYR . 0.1 OUTLIER 49.3 43.93 23.25 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 122.57 1.176 . . . . 25.0 113.816 174.599 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.5 149.65 45.61 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 114.493 -1.23 . . . . 25.0 108.235 176.516 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.415 ' HA ' ' HA2' ' A' ' 125' ' ' GLY . . . -138.41 13.51 2.78 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 107.818 -1.178 . . . . 25.0 107.818 177.761 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.13 -31.9 70.5 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 113.082 -1.872 . . . . 25.0 112.227 -169.52 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -133.86 100.17 4.67 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.108 -0.701 . . . . 25.0 109.108 177.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 51.54 35.18 13.9 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 114.164 1.172 . . . . 25.0 114.164 177.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . 0.415 ' HA2' ' HA ' ' A' ' 121' ' ' ALA . . . 69.68 12.83 67.88 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 115.193 0.837 . . . . 25.0 115.193 178.176 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 12.2 mtm180 -75.97 125.91 30.01 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.659 -0.867 . . . . 25.0 108.659 178.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 31.1 p -129.4 151.94 49.48 Favored 'General case' 0 C--O 1.242 0.665 0 N-CA-C 114.356 1.243 . . . . 25.0 114.356 -176.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -86.4 141.12 29.39 Favored 'General case' 0 C--O 1.244 0.769 0 CA-C-N 115.092 -0.958 . . . . 25.0 109.93 176.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -144.15 145.51 32.16 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 107.456 -1.313 . . . . 25.0 107.456 176.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 1.9 mt -129.84 165.14 22.6 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 123.33 0.652 . . . . 25.0 109.46 -177.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -142.28 150.71 41.21 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.32 0.581 . . . . 25.0 110.102 176.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 55.7 mt -132.9 149.32 52.26 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 103.82 -2.659 . . . . 25.0 103.82 176.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.11 179.89 6.31 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 120.001 -0.68 . . . . 25.0 110.197 179.155 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -80.8 56.43 4.78 Favored Glycine 0 C--O 1.224 -0.524 0 CA-C-O 122.288 0.938 . . . . 25.0 112.178 -176.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -109.62 -165.15 0.99 Allowed 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 103.953 -2.61 . . . . 25.0 103.953 179.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -67.36 -3.8 9.21 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 121.572 0.701 . . . . 25.0 110.913 174.346 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -59.89 -27.21 66.52 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.154 0.582 . . . . 25.0 111.036 172.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -68.62 -18.41 64.3 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 111.753 0.279 . . . . 25.0 111.753 -179.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 76.1 p -112.49 35.58 3.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.84 0.352 . . . . 25.0 110.054 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -63.23 150.44 43.07 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.748 0.785 . . . . 25.0 112.625 -179.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 37.9 t -97.85 156.72 16.46 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.115 -1.068 . . . . 25.0 108.115 176.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.0 -17.84 64.54 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.562 0.696 . . . . 25.0 110.328 176.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -73.1 -22.03 79.34 Favored Glycine 0 CA--C 1.522 0.47 0 CA-C-N 115.383 -0.826 . . . . 25.0 114.654 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -90.56 27.92 1.62 Allowed 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 118.387 1.093 . . . . 25.0 111.859 -177.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 8.0 mt -124.86 158.88 32.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 106.596 -1.631 . . . . 25.0 106.596 179.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 2.9 p -57.65 -16.89 6.44 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.759 0 N-CA-C 113.995 1.109 . . . . 25.0 113.995 -177.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -59.6 -35.42 74.28 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 111.963 0.356 . . . . 25.0 111.963 178.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . 54.16 -161.19 0.14 Allowed 'General case' 0 CA--C 1.545 0.768 0 O-C-N 123.77 0.669 . . . . 25.0 110.109 -174.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . 62.88 -26.26 0.06 Allowed 'General case' 0 N--CA 1.484 1.249 0 N-CA-C 117.041 2.238 . . . . 25.0 117.041 178.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -70.0 165.29 22.12 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.397 0.618 . . . . 25.0 111.086 179.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 12.1 t -61.4 144.77 91.68 Favored Pre-proline 0 C--O 1.242 0.689 0 CA-C-N 115.282 -0.872 . . . . 25.0 110.335 178.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -72.9 174.96 11.06 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 118.504 -0.531 . . . . 25.0 111.606 176.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.271 0 N-CA-C 106.196 -2.761 . . . . 25.0 106.196 177.92 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 206' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 118.26 -0.876 . . . . 25.0 109.486 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 64.09 163.57 0.13 Allowed 'General case' 0 N--CA 1.477 0.918 0 O-C-N 124.935 1.397 . . . . 25.0 111.862 -176.075 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -93.12 167.58 29.28 Favored Glycine 0 N--CA 1.454 -0.119 0 C-N-CA 121.382 -0.437 . . . . 25.0 113.803 -176.159 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.6 t -96.91 -175.33 3.24 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 106.407 -1.701 . . . . 25.0 106.407 176.102 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -84.26 4.22 31.86 Favored 'General case' 0 C--N 1.322 -0.606 0 O-C-N 120.963 -1.086 . . . . 25.0 112.809 -178.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -85.28 -166.13 41.37 Favored Glycine 0 C--N 1.319 -0.38 0 N-CA-C 108.951 -1.659 . . . . 25.0 108.951 171.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -88.86 130.48 35.39 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.791 -1.188 . . . . 25.0 107.791 177.13 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -124.7 150.25 46.35 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 120.895 0.379 . . . . 50.0 111.616 -177.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 89.2 t -127.62 106.42 15.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 105.417 -2.068 . . . . 25.0 105.417 171.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 93.9 mt -122.73 143.89 49.52 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.43 -0.35 . . . . 25.0 110.69 -176.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 81.6 mt -130.79 125.38 58.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 106.883 -1.525 . . . . 25.0 106.883 177.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -81.27 158.59 40.14 Favored Glycine 0 N--CA 1.451 -0.361 0 CA-C-O 121.682 0.601 . . . . 25.0 113.369 -178.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 89.1 p -82.36 -179.36 7.39 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 123.319 0.647 . . . . 25.0 110.148 178.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -73.15 -14.35 61.35 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 115.112 1.523 . . . . 25.0 115.112 -176.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.7 m -85.39 167.86 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 108.945 -0.761 . . . . 25.0 108.945 178.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.85 137.11 25.11 Favored Glycine 0 N--CA 1.454 -0.154 0 C-N-CA 120.426 -0.893 . . . . 25.0 111.301 178.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -142.01 161.52 37.77 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.144 0.497 . . . . 50.0 111.566 -175.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -119.11 117.83 29.77 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 105.341 -2.096 . . . . 25.0 105.341 172.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 44.1 mt -126.4 118.11 50.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.374 0.607 . . . . 25.0 109.861 -175.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 73.6 p -108.66 141.6 40.38 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.682 -0.858 . . . . 25.0 108.682 177.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -94.68 -23.91 19.61 Favored Glycine 0 C--N 1.323 -0.158 0 N-CA-C 114.542 0.577 . . . . 25.0 114.542 -176.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.65 -159.43 53.2 Favored Glycine 0 C--O 1.246 0.847 0 N-CA-C 111.39 -0.684 . . . . 25.0 111.39 -176.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.42 178.64 3.33 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 122.129 -0.63 . . . . 25.0 109.587 177.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.75 166.84 37.98 Favored Glycine 0 C--O 1.242 0.595 0 C-N-CA 121.111 -0.566 . . . . 25.0 112.08 -178.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -91.73 112.28 24.14 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 107.479 -1.304 . . . . 25.0 107.479 -178.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -117.64 164.39 15.02 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 114.67 1.359 . . . . 50.0 114.67 -170.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 67.1 ttt180 -124.02 124.72 43.18 Favored 'General case' 0 CA--C 1.507 -0.684 0 N-CA-C 104.297 -2.483 . . . . 25.0 104.297 167.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 76.5 mt -125.12 113.05 17.2 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 107.115 -1.439 . . . . 25.0 107.115 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -106.32 136.51 45.92 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 105.174 -2.158 . . . . 25.0 105.174 175.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -90.19 -27.4 20.91 Favored Glycine 0 C--N 1.322 -0.242 0 N-CA-C 112.174 -0.37 . . . . 25.0 112.174 -178.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 72.84 -159.57 53.67 Favored Glycine 0 C--O 1.243 0.704 0 N-CA-C 110.639 -0.984 . . . . 25.0 110.639 -177.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.93 172.39 11.69 Favored 'General case' 0 C--O 1.244 0.778 0 N-CA-C 109.538 -0.541 . . . . 25.0 109.538 178.089 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 82.33 166.73 38.82 Favored Glycine 0 C--O 1.239 0.461 0 N-CA-C 110.067 -1.213 . . . . 25.0 110.067 -176.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -85.4 129.44 34.81 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 107.518 -1.289 . . . . 25.0 107.518 -178.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -131.77 153.95 49.58 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 114.235 1.198 . . . . 50.0 114.235 -171.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.0 mp -113.89 127.71 56.09 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 106.72 -1.585 . . . . 25.0 106.72 175.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.6 mp -127.09 122.21 33.66 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.699 0.285 . . . . 25.0 111.281 -176.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -112.51 113.13 25.15 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 109.873 -0.418 . . . . 25.0 109.873 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.44 -47.8 75.09 Favored Glycine 0 C--O 1.248 1.006 0 N-CA-C 115.594 0.998 . . . . 25.0 115.594 -175.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.14 179.46 51.98 Favored Glycine 0 CA--C 1.519 0.331 0 N-CA-C 111.46 -0.656 . . . . 25.0 111.46 -176.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.71 153.54 16.45 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 122.09 -0.653 . . . . 25.0 109.885 179.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.84 169.77 39.96 Favored Glycine 0 C--O 1.242 0.62 0 N-CA-C 111.015 -0.834 . . . . 25.0 111.015 -176.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.5 ptt180 -94.69 127.51 40.72 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 106.425 -1.694 . . . . 25.0 106.425 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -127.6 168.52 14.89 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 116.278 -0.419 . . . . 50.0 111.853 -170.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.78 115.3 19.82 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 106.276 -1.75 . . . . 25.0 106.276 176.309 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.7 mp -113.29 101.1 9.09 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.632 -0.507 . . . . 25.0 109.632 -173.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.1 m -94.58 112.57 24.32 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.677 -0.49 . . . . 25.0 109.677 -178.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -75.18 -42.4 28.94 Favored Glycine 0 C--O 1.242 0.628 0 C-N-CA 119.44 -1.362 . . . . 25.0 113.482 -176.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.413 ' H ' ' HB2' ' A' ' 77' ' ' ASP . . . 74.48 -163.59 54.45 Favored Glycine 0 C--O 1.243 0.673 0 N-CA-C 111.141 -0.784 . . . . 25.0 111.141 -177.537 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.1 mt -63.85 155.95 28.98 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.907 0.384 . . . . 25.0 110.394 177.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 89.99 168.67 43.07 Favored Glycine 0 C--O 1.242 0.648 0 N-CA-C 110.973 -0.851 . . . . 25.0 110.973 -178.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -80.06 132.5 35.98 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 107.154 -1.424 . . . . 25.0 107.154 179.102 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -130.61 143.69 50.92 Favored 'General case' 0 C--N 1.317 -0.827 0 O-C-N 121.941 -0.475 . . . . 50.0 110.659 -176.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.1 t -120.3 131.67 54.99 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.437 -0.949 . . . . 25.0 108.437 176.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -113.18 116.5 29.9 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 105.596 -2.002 . . . . 25.0 105.596 -177.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 56.0 ttt85 -126.56 150.17 48.99 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.903 0.859 . . . . 25.0 112.528 -168.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 45.3 p90 -67.95 150.36 48.6 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.79 -1.095 . . . . 25.0 110.47 176.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -114.41 -29.24 6.94 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 107.881 -1.155 . . . . 25.0 107.881 167.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -131.73 163.03 29.08 Favored 'General case' 0 C--O 1.214 -0.811 0 N-CA-C 104.84 -2.282 . . . . 25.0 104.84 176.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 29.3 ptt180 -71.27 -19.84 62.29 Favored 'General case' 0 C--O 1.211 -0.943 0 CA-C-N 119.243 0.929 . . . . 25.0 110.416 174.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -95.16 12.46 28.71 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.733 0.778 . . . . 25.0 111.654 -175.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -57.3 -32.36 66.57 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.102 -0.954 . . . . 25.0 113.53 -178.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 46.3 p -133.16 85.44 2.21 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.415 -0.958 . . . . 25.0 108.415 179.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 43.8 t-80 -140.23 147.62 40.3 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.64 -0.709 . . . . 25.0 111.445 -170.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 47.8 mtt-85 -119.24 155.93 30.84 Favored 'General case' 0 C--O 1.22 -0.494 0 N-CA-C 108.147 -1.057 . . . . 25.0 108.147 175.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.5 t -150.03 155.73 37.71 Favored Pre-proline 0 C--N 1.318 -0.776 0 N-CA-C 104.595 -2.372 . . . . 25.0 104.595 179.266 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -67.33 -13.77 40.53 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 115.498 -2.535 . . . . 25.0 112.23 174.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 74.4 mt -86.2 -1.32 57.34 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 112.205 0.446 . . . . 25.0 112.205 178.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 144.84 164.9 10.85 Favored Glycine 0 C--O 1.225 -0.439 0 N-CA-C 111.947 -0.461 . . . . 25.0 111.947 -179.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 14.9 t -114.75 142.91 45.88 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.489 0.662 . . . . 25.0 111.113 -178.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -126.06 12.83 7.79 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 107.759 -1.2 . . . . 25.0 107.759 -178.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 78.2 p -66.15 140.43 58.2 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.281 -0.872 . . . . 25.0 109.575 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -93.51 158.49 15.68 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.815 0.34 . . . . 50.0 110.39 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 9.5 mp -114.49 132.53 56.25 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 105.34 -2.096 . . . . 25.0 105.34 173.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 26.8 mt -107.85 140.56 25.79 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 N-CA-C 105.269 -2.122 . . . . 25.0 105.269 176.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 62.1 mt -128.27 156.11 43.53 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.054 -0.975 . . . . 25.0 109.322 -172.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.413 ' HB2' ' H ' ' A' ' 49' ' ' GLY . 32.3 m-20 55.34 38.5 30.42 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.769 0.827 . . . . 25.0 110.126 -178.433 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -79.38 117.72 20.61 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-O 121.949 0.881 . . . . 25.0 110.544 -178.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -76.49 143.66 72.72 Favored Pre-proline 0 C--N 1.317 -0.825 0 CA-C-N 114.699 -1.137 . . . . 25.0 108.567 179.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -76.38 -12.05 18.93 Favored 'Trans proline' 0 C--N 1.341 0.157 0 N-CA-C 115.739 1.4 . . . . 25.0 115.739 -173.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.5 m -149.12 17.11 0.95 Allowed 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 113.321 0.86 . . . . 25.0 113.321 -177.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -132.18 -9.15 3.38 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 112.024 0.379 . . . . 25.0 112.024 -178.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -113.87 150.46 33.59 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.154 -1.054 . . . . 50.0 108.154 -178.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 48.1 tttm -136.94 145.42 44.21 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.022 0.379 . . . . 25.0 112.022 -170.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 58.2 mt -117.48 124.98 73.74 Favored 'Isoleucine or valine' 0 C--O 1.238 0.472 0 CA-C-O 121.069 0.461 . . . . 25.0 109.839 -178.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -111.71 114.22 27.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.135 0.493 . . . . 25.0 110.565 -178.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 15.6 m -127.53 36.35 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 CA-C-O 121.876 0.846 . . . . 25.0 110.96 -177.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.43 -15.26 24.82 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 115.166 1.543 . . . . 25.0 115.166 -177.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -76.26 -4.77 43.74 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 113.38 0.882 . . . . 25.0 113.38 -179.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 23.1 mt -104.13 -67.5 0.89 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.655 0.741 . . . . 25.0 109.623 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 84.55 159.08 29.58 Favored Glycine 0 C--O 1.223 -0.538 0 N-CA-C 107.169 -2.372 . . . . 25.0 107.169 -171.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -142.82 160.9 39.43 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 118.067 0.934 . . . . 25.0 109.184 -176.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 7.3 tp -114.69 -11.15 12.12 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 CA-C-O 121.204 0.526 . . . . 25.0 111.348 -177.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -160.81 178.67 36.7 Favored Glycine 0 C--O 1.227 -0.31 0 C-N-CA 120.604 -0.808 . . . . 25.0 112.282 179.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 64.0 mt -124.4 1.18 8.35 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 115.907 1.818 . . . . 25.0 115.907 -173.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -115.83 -31.53 1.91 Allowed Glycine 0 CA--C 1.527 0.832 0 N-CA-C 123.089 3.996 . . . . 25.0 123.089 -168.005 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 -90.9 -28.59 18.01 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 120.398 2.099 . . . . 25.0 114.306 -169.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 83.08 1.94 90.58 Favored Glycine 0 CA--C 1.51 -0.274 0 C-N-CA 121.081 -0.581 . . . . 25.0 112.154 -175.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.422 ' HA ' ' HB3' ' A' ' 119' ' ' TYR . 97.9 m-85 -140.61 162.47 35.3 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 106.504 -1.665 . . . . 25.0 106.504 -179.399 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 59.61 42.52 17.13 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 124.041 0.838 . . . . 25.0 112.27 179.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 72.91 20.87 80.06 Favored Glycine 0 CA--C 1.511 -0.208 0 C-N-CA 120.875 -0.678 . . . . 25.0 113.371 174.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 28.2 p -119.96 143.64 47.91 Favored 'General case' 0 CA--C 1.51 -0.568 0 N-CA-C 107.546 -1.279 . . . . 25.0 107.546 179.117 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -77.33 159.65 29.38 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 113.66 0.985 . . . . 25.0 113.66 -175.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -158.42 161.99 37.54 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 106.122 -1.807 . . . . 25.0 106.122 163.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 8.7 p -129.66 153.75 39.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 107.976 -1.12 . . . . 25.0 107.976 178.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 43.7 m -146.37 161.78 39.61 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.086 -1.079 . . . . 25.0 108.086 179.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 81.9 mt -125.95 160.28 30.41 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.663 -0.865 . . . . 25.0 108.663 178.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 40.1 p -80.06 166.96 21.01 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.208 0.527 . . . . 25.0 110.3 176.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -70.95 -2.37 15.02 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 114.09 1.145 . . . . 25.0 114.09 -179.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.4 p30 -116.74 0.52 12.59 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.032 -1.099 . . . . 25.0 108.032 179.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 68.32 7.45 52.11 Favored Glycine 0 C--O 1.227 -0.332 0 CA-C-N 115.855 -0.612 . . . . 25.0 113.958 179.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 82.6 mt -92.65 -12.04 32.59 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 112.937 0.717 . . . . 25.0 112.937 -174.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 20.8 mtt-85 -135.25 153.48 51.9 Favored 'General case' 0 CA--C 1.509 -0.602 0 N-CA-C 108.632 -0.877 . . . . 25.0 108.632 -169.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 7.3 m -133.41 147.87 51.77 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.015 -0.735 . . . . 25.0 109.015 -175.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -131.86 145.15 51.37 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 107.859 -1.163 . . . . 25.0 107.859 178.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.6 mp -129.1 144.25 51.14 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 107.008 -1.479 . . . . 25.0 107.008 -179.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 31.8 mttt -130.88 160.27 34.96 Favored 'General case' 0 C--O 1.22 -0.464 0 N-CA-C 112.245 0.461 . . . . 25.0 112.245 -179.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 48.2 t -145.37 -41.78 0.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.28 -1.378 . . . . 25.0 107.28 170.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.427 ' HA ' ' HA ' ' A' ' 127' ' ' SER . 1.4 t80 42.76 63.31 1.49 Allowed 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 114.352 1.241 . . . . 25.0 114.352 171.755 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -62.69 130.14 43.65 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.045 -0.98 . . . . 25.0 109.772 -176.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -143.71 13.9 1.73 Allowed 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 122.41 1.1 . . . . 25.0 110.918 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -76.28 -33.6 59.1 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 113.619 -1.628 . . . . 25.0 111.996 -173.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -161.26 -37.51 0.05 OUTLIER 'General case' 0 C--O 1.22 -0.454 0 CA-C-N 114.736 -1.12 . . . . 25.0 110.658 -179.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 -84.14 -26.97 28.46 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.483 0.919 . . . . 25.0 113.483 -176.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 59.54 40.87 96.86 Favored Glycine 0 N--CA 1.46 0.286 0 C-N-CA 121.204 -0.522 . . . . 25.0 113.179 178.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 12.4 mmt85 -115.97 114.17 24.27 Favored 'General case' 0 CA--C 1.509 -0.614 0 CA-C-O 121.124 0.488 . . . . 25.0 110.885 -176.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.427 ' HA ' ' HA ' ' A' ' 119' ' ' TYR . 13.7 m -77.24 98.11 5.04 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.946 0.879 . . . . 25.0 111.306 178.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -94.29 119.22 32.75 Favored 'General case' 0 C--N 1.309 -1.174 0 N-CA-C 107.048 -1.464 . . . . 25.0 107.048 178.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -146.36 152.9 39.84 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.868 -1.16 . . . . 25.0 107.868 179.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 2.2 mt -128.58 160.39 32.55 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.504 -0.924 . . . . 25.0 108.504 178.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -136.1 148.17 48.15 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 107.461 -1.311 . . . . 25.0 107.461 175.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 24.8 mt -131.49 146.85 52.44 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 103.006 -2.961 . . . . 25.0 103.006 176.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -143.95 154.86 43.75 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 107.422 -1.325 . . . . 25.0 107.422 179.045 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 67.01 47.17 66.72 Favored Glycine 0 CA--C 1.516 0.154 0 N-CA-C 109.667 -1.373 . . . . 25.0 109.667 -175.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -100.69 148.35 24.97 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 115.325 1.602 . . . . 25.0 115.325 -170.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 70.0 m80 -83.07 46.66 1.14 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.444 -1.253 . . . . 25.0 109.012 169.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -61.04 -29.88 69.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.308 -0.405 . . . . 25.0 111.393 -176.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -62.24 -23.15 66.51 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 116.366 -0.379 . . . . 25.0 111.847 178.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 69.6 p -127.68 29.59 5.45 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 122.235 0.214 . . . . 25.0 111.165 -178.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 4.0 pp -63.01 161.27 13.4 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 112.84 0.682 . . . . 25.0 112.84 -175.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 16.0 t -143.2 161.84 37.19 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.879 -0.786 . . . . 25.0 108.879 177.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -93.91 170.29 9.66 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.031 0.444 . . . . 25.0 110.722 -178.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 91.35 -3.97 79.92 Favored Glycine 0 C--O 1.226 -0.371 0 N-CA-C 115.63 1.012 . . . . 25.0 115.63 174.241 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -76.19 40.31 0.21 Allowed 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 113.546 0.943 . . . . 25.0 113.546 -179.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 1.4 pp -137.09 160.43 36.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.146 0.498 . . . . 25.0 111.057 -177.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 9.1 p -59.66 -24.25 28.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 N-CA-C 115.106 1.521 . . . . 25.0 115.106 -176.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -80.78 -24.01 38.91 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 113.621 0.971 . . . . 25.0 113.621 -174.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . 54.86 -164.88 0.11 Allowed 'General case' 0 CA--C 1.548 0.876 0 O-C-N 123.867 0.729 . . . . 25.0 110.109 -172.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . 49.78 25.16 1.44 Allowed 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 115.799 1.777 . . . . 25.0 115.799 176.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -78.18 97.96 5.67 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 122.033 -0.417 . . . . 25.0 111.612 -177.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 12.8 t -68.26 145.54 97.52 Favored Pre-proline 0 C--N 1.321 -0.641 0 N-CA-C 107.263 -1.384 . . . . 25.0 107.263 173.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -72.45 163.52 38.33 Favored 'Trans proline' 0 C--O 1.239 0.547 0 C-N-CA 116.09 -2.14 . . . . 25.0 111.297 176.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.408 0 N-CA-C 105.022 -3.231 . . . . 25.0 105.022 179.191 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 206' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.42 ' H3 ' HG12 ' A' ' 19' ' ' ILE . . . . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.862 -0.421 . . . . 25.0 109.862 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 19.8 pm0 -66.24 157.77 30.62 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.771 0.32 . . . . 25.0 111.293 179.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -111.84 -175.42 19.91 Favored Glycine 0 N--CA 1.455 -0.095 0 N-CA-C 109.244 -1.543 . . . . 25.0 109.244 176.022 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.3 t -134.06 177.83 7.43 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.377 -0.971 . . . . 25.0 108.377 -178.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -76.09 142.91 41.57 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.022 -1.103 . . . . 25.0 108.022 178.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 107.96 -174.43 19.16 Favored Glycine 0 C--O 1.229 -0.168 0 N-CA-C 106.393 -2.683 . . . . 25.0 106.393 -169.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -91.32 135.55 33.73 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 119.252 1.526 . . . . 25.0 110.577 -176.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -123.43 149.15 45.4 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 121.011 0.434 . . . . 50.0 110.996 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 68.0 t -129.14 104.35 10.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 105.206 -2.146 . . . . 25.0 105.206 171.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 89.1 mt -121.56 137.4 54.75 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.416 -0.356 . . . . 25.0 110.213 -175.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 75.9 mt -126.35 124.6 65.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 106.441 -1.689 . . . . 25.0 106.441 178.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -81.85 158.22 38.53 Favored Glycine 0 N--CA 1.448 -0.543 0 CA-C-O 121.801 0.667 . . . . 25.0 113.058 -178.156 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 77.8 p -88.36 -179.95 6.21 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.827 -0.687 . . . . 25.0 109.316 178.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -74.33 -12.84 60.65 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 115.0 1.481 . . . . 25.0 115.0 -175.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.5 m -84.36 168.17 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.076 -0.713 . . . . 25.0 109.076 177.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.84 138.96 27.83 Favored Glycine 0 N--CA 1.452 -0.263 0 N-CA-C 110.637 -0.985 . . . . 25.0 110.637 177.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -143.01 161.97 36.71 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.42 0.629 . . . . 50.0 112.495 -174.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -111.1 122.56 48.18 Favored 'General case' 0 C--O 1.239 0.518 0 N-CA-C 105.019 -2.215 . . . . 25.0 105.019 170.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.42 HG12 ' H3 ' ' A' ' 1' ' ' ALA . 78.2 mt -127.04 138.19 55.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 107.658 -1.238 . . . . 25.0 107.658 -172.423 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 92.2 p -139.9 156.26 46.78 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 121.796 -0.565 . . . . 25.0 109.852 177.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -105.92 -34.99 3.09 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 121.345 -0.455 . . . . 25.0 112.648 178.055 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 70.7 -155.9 53.08 Favored Glycine 0 C--O 1.244 0.755 0 N-CA-C 110.131 -1.188 . . . . 25.0 110.131 -176.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.44 167.08 20.37 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 118.157 0.979 . . . . 25.0 109.175 178.045 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 88.54 171.6 46.27 Favored Glycine 0 C--O 1.243 0.699 0 CA-C-N 116.122 -0.49 . . . . 25.0 113.075 178.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -85.78 117.97 24.98 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 107.631 -1.248 . . . . 25.0 107.631 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -123.44 155.93 36.5 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 112.691 0.626 . . . . 50.0 112.691 -174.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -124.51 118.6 26.98 Favored 'General case' 0 CA--C 1.505 -0.773 0 N-CA-C 105.088 -2.19 . . . . 25.0 105.088 172.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 64.4 mt -122.77 124.01 42.37 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 108.674 -0.861 . . . . 25.0 108.674 -174.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -116.63 139.45 50.51 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 105.873 -1.899 . . . . 25.0 105.873 173.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -96.33 -29.47 8.36 Favored Glycine 0 C--N 1.321 -0.263 0 C-N-CA 121.584 -0.341 . . . . 25.0 113.016 -179.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 70.05 -158.52 53.47 Favored Glycine 0 C--O 1.245 0.828 0 N-CA-C 110.608 -0.997 . . . . 25.0 110.608 -176.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.31 173.26 9.78 Favored 'General case' 0 C--O 1.243 0.757 0 CA-C-O 121.27 0.557 . . . . 25.0 109.708 178.234 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 81.07 164.56 32.43 Favored Glycine 0 C--O 1.239 0.411 0 N-CA-C 110.081 -1.208 . . . . 25.0 110.081 -176.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -84.21 132.77 34.63 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 107.507 -1.294 . . . . 25.0 107.507 -178.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -132.85 149.27 52.28 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 113.555 0.946 . . . . 50.0 113.555 -172.361 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.4 mp -108.13 128.78 54.99 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 105.543 -2.021 . . . . 25.0 105.543 176.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.7 mp -130.52 107.02 8.9 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 113.292 0.849 . . . . 25.0 113.292 -177.107 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -100.46 104.83 16.24 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-O 121.012 0.435 . . . . 25.0 110.232 178.127 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -63.14 -44.61 96.91 Favored Glycine 0 C--O 1.249 1.046 0 N-CA-C 115.789 1.075 . . . . 25.0 115.789 -175.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.46 175.52 43.31 Favored Glycine 0 CA--C 1.518 0.224 0 O-C-N 121.887 -0.772 . . . . 25.0 112.045 -178.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.68 152.63 11.84 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 122.014 -0.698 . . . . 25.0 111.429 -179.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.13 162.72 37.55 Favored Glycine 0 C--O 1.241 0.569 0 N-CA-C 110.634 -0.986 . . . . 25.0 110.634 -177.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.6 ptp85 -81.13 134.43 35.64 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 107.737 -1.208 . . . . 25.0 107.737 -179.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -131.4 165.11 24.23 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 116.352 -0.385 . . . . 50.0 110.282 -174.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.7 mpt_? -128.21 121.27 29.0 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 104.084 -2.562 . . . . 25.0 104.084 178.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.6 mp -124.11 98.41 5.77 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 123.435 0.46 . . . . 25.0 111.591 -170.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.3 m -91.52 111.04 22.38 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.208 -0.664 . . . . 25.0 109.208 179.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -73.46 -41.48 44.58 Favored Glycine 0 C--O 1.243 0.671 0 C-N-CA 119.756 -1.212 . . . . 25.0 113.657 -176.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.439 ' H ' ' HB2' ' A' ' 77' ' ' ASP . . . 76.32 -165.26 53.86 Favored Glycine 0 C--O 1.247 0.922 0 N-CA-C 111.506 -0.638 . . . . 25.0 111.506 -177.182 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.9 mt -65.59 158.06 28.14 Favored 'General case' 0 C--O 1.237 0.446 0 N-CA-C 109.863 -0.421 . . . . 25.0 109.863 177.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 88.76 169.59 44.86 Favored Glycine 0 C--O 1.243 0.712 0 N-CA-C 110.976 -0.85 . . . . 25.0 110.976 -178.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.83 131.5 36.49 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 107.483 -1.302 . . . . 25.0 107.483 179.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -130.55 140.21 50.47 Favored 'General case' 0 C--N 1.316 -0.854 0 O-C-N 121.884 -0.51 . . . . 50.0 110.176 -176.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.3 t -118.26 126.28 51.83 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.875 0.845 . . . . 25.0 108.805 176.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -106.58 122.57 46.58 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 105.326 -2.102 . . . . 25.0 105.326 -178.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 58.0 ttt-85 -124.56 145.06 49.79 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 114.193 1.183 . . . . 25.0 114.193 -167.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 34.3 p90 -70.92 155.9 40.25 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.182 -0.917 . . . . 25.0 109.77 173.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -127.95 -23.2 3.39 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 116.074 -0.512 . . . . 25.0 110.321 168.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -135.07 165.98 24.11 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 107.772 -1.196 . . . . 25.0 107.772 179.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -71.21 -29.62 65.38 Favored 'General case' 0 C--O 1.205 -1.269 0 N-CA-C 109.299 -0.63 . . . . 25.0 109.299 172.135 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -98.79 18.48 16.89 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 121.866 0.841 . . . . 25.0 110.938 -176.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -55.49 -37.66 68.11 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.893 -1.048 . . . . 25.0 111.1 -178.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 75.2 m -137.02 117.73 13.99 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 105.884 -1.895 . . . . 25.0 105.884 172.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -153.42 157.99 40.76 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.001 -0.74 . . . . 25.0 109.001 -173.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 58.0 mtt85 -132.52 159.38 39.58 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 118.832 0.742 . . . . 25.0 111.466 178.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 87.2 p -151.07 164.51 19.98 Favored Pre-proline 0 C--N 1.322 -0.622 0 N-CA-C 105.828 -1.916 . . . . 25.0 105.828 179.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -70.11 -13.56 33.94 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 116.21 -2.06 . . . . 25.0 112.723 176.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 81.6 mt -84.22 -2.95 57.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.87 0.367 . . . . 25.0 111.204 178.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 145.63 160.66 8.74 Favored Glycine 0 N--CA 1.452 -0.277 0 CA-C-O 121.923 0.735 . . . . 25.0 113.333 179.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.4 t -96.19 143.43 27.3 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.389 -0.597 . . . . 25.0 109.389 179.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -126.89 17.42 7.33 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 106.073 -1.825 . . . . 25.0 106.073 176.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 29.7 t -73.98 147.18 43.24 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 114.935 -1.03 . . . . 25.0 110.476 -179.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -85.61 159.72 19.78 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.75 -0.659 . . . . 50.0 109.888 175.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.6 mp -122.0 124.26 43.58 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 106.612 -1.625 . . . . 25.0 106.612 175.04 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 24.7 mt -104.76 141.16 20.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 108.215 -1.031 . . . . 25.0 108.215 178.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -127.62 158.3 37.89 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.985 -1.007 . . . . 25.0 109.596 -174.096 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.439 ' HB2' ' H ' ' A' ' 49' ' ' GLY . 36.0 m-20 56.77 39.21 29.76 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.237 1.015 . . . . 25.0 111.231 178.583 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -81.34 117.7 22.03 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-N 115.518 -0.765 . . . . 25.0 111.874 -178.131 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -73.75 153.85 89.29 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 114.782 -1.099 . . . . 25.0 111.477 -178.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -74.31 -17.61 21.29 Favored 'Trans proline' 0 C--N 1.346 0.433 0 N-CA-C 116.111 1.543 . . . . 25.0 116.111 -176.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 12.0 t -153.06 12.13 0.48 Allowed 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 114.071 1.137 . . . . 25.0 114.071 -177.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -121.52 -7.76 9.14 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 112.161 0.43 . . . . 25.0 112.161 -176.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -113.79 148.52 36.41 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.844 -0.799 . . . . 50.0 108.844 -177.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 38.8 tptt -125.66 142.75 51.35 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.516 -0.311 . . . . 25.0 111.086 -174.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 58.6 mt -117.6 106.43 19.94 Favored 'Isoleucine or valine' 0 C--O 1.244 0.814 0 N-CA-C 108.026 -1.102 . . . . 25.0 108.026 175.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -96.05 110.64 22.85 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.241 -1.022 . . . . 25.0 108.241 177.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -137.42 31.04 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 114.969 -1.014 . . . . 25.0 109.737 -175.659 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.7 t -59.68 -33.47 71.62 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 113.97 1.1 . . . . 25.0 113.97 -175.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -80.83 0.59 34.31 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 115.339 1.607 . . . . 25.0 115.339 -174.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 42.9 mt -76.66 -52.55 9.43 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 105.746 -1.946 . . . . 25.0 105.746 175.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 79.66 145.54 3.56 Favored Glycine 0 C--O 1.226 -0.355 0 CA-C-N 113.372 -1.74 . . . . 25.0 112.101 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -146.95 157.86 43.75 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 106.897 -1.52 . . . . 25.0 106.897 -179.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 6.5 tp -113.16 -6.88 11.92 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 CA-C-O 121.186 0.517 . . . . 25.0 111.726 -176.127 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -157.92 166.04 33.85 Favored Glycine 0 C--O 1.227 -0.303 0 C-N-CA 120.427 -0.892 . . . . 25.0 112.163 178.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 63.0 mt -109.76 -2.28 17.45 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 115.79 1.774 . . . . 25.0 115.79 -172.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -161.24 81.51 0.14 Allowed Glycine 0 C--O 1.224 -0.476 0 N-CA-C 117.591 1.796 . . . . 25.0 117.591 -174.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -167.81 -40.02 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.011 0.524 . . . . 25.0 110.593 171.286 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 91.05 4.59 68.82 Favored Glycine 0 N--CA 1.461 0.303 0 N-CA-C 114.972 0.749 . . . . 25.0 114.972 174.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -137.53 163.07 32.05 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.058 -1.09 . . . . 25.0 108.058 179.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 56.01 37.07 28.44 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 113.061 0.763 . . . . 25.0 113.061 177.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 82.73 4.71 89.96 Favored Glycine 0 N--CA 1.453 -0.198 0 C-N-CA 121.202 -0.523 . . . . 25.0 114.1 176.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 43.7 p -100.02 142.62 31.26 Favored 'General case' 0 C--O 1.214 -0.791 0 N-CA-C 107.376 -1.342 . . . . 25.0 107.376 178.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 24.2 mt -79.66 160.23 26.41 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 114.602 1.334 . . . . 25.0 114.602 -176.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -154.39 156.79 37.47 Favored 'General case' 0 C--O 1.239 0.512 0 N-CA-C 104.339 -2.467 . . . . 25.0 104.339 167.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 9.2 p -137.14 155.43 32.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.061 -0.718 . . . . 25.0 109.061 -179.067 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 77.4 p -141.98 141.74 32.91 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 102.839 -3.023 . . . . 25.0 102.839 170.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -118.76 153.45 34.4 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 116.861 2.171 . . . . 25.0 116.861 -172.227 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 7.7 t -68.66 44.76 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 115.862 1.801 . . . . 25.0 115.862 175.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -58.43 -48.41 80.79 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 118.461 0.573 . . . . 25.0 110.9 -177.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -101.9 28.47 5.69 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.513 0.673 . . . . 25.0 109.961 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 78.83 15.79 80.13 Favored Glycine 0 CA--C 1.521 0.463 0 C-N-CA 120.922 -0.656 . . . . 25.0 111.744 -176.21 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 57.2 mt -64.45 -23.64 67.35 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 115.779 1.77 . . . . 25.0 115.779 -174.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 78.9 mtt85 90.74 146.93 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 127.518 2.327 . . . . 25.0 105.808 -174.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 47.9 m -100.61 133.92 44.34 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 107.057 -1.46 . . . . 25.0 107.057 -175.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -131.05 142.88 50.35 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.953 -0.758 . . . . 25.0 108.953 179.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 7.9 mp -119.77 134.68 55.14 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 103.426 -2.805 . . . . 25.0 103.426 175.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -131.53 153.85 49.4 Favored 'General case' 0 CA--C 1.51 -0.577 0 O-C-N 123.139 0.274 . . . . 25.0 110.557 -177.076 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 81.0 p -142.98 -17.64 0.67 Allowed 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 114.918 1.451 . . . . 25.0 114.918 176.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER 26.47 56.4 0.06 Allowed 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 118.235 2.68 . . . . 25.0 118.235 -176.095 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -77.16 135.6 38.55 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 109.18 -0.674 . . . . 25.0 109.18 173.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -144.39 32.31 1.2 Allowed 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 104.241 -2.503 . . . . 25.0 104.241 174.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -120.35 -105.83 0.38 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 113.528 -1.669 . . . . 25.0 110.063 -166.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -69.68 -30.82 68.57 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.761 0.282 . . . . 25.0 111.761 -178.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 96.9 mm-40 -96.72 -33.57 11.67 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.724 -0.39 . . . . 25.0 111.243 -178.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 72.16 15.54 76.71 Favored Glycine 0 CA--C 1.516 0.143 0 N-CA-C 110.911 -0.875 . . . . 25.0 110.911 -177.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 26.9 mmt180 -147.43 122.61 10.19 Favored 'General case' 0 CA--C 1.51 -0.574 0 N-CA-C 109.129 -0.693 . . . . 25.0 109.129 -175.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 59.7 p -72.4 127.68 33.3 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 107.593 -1.262 . . . . 25.0 107.593 173.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -105.21 103.59 13.16 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 106.928 -1.508 . . . . 25.0 106.928 177.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -133.87 149.82 51.35 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.438 -0.801 . . . . 25.0 109.55 -169.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -130.45 164.66 24.29 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 120.69 0.281 . . . . 25.0 111.745 -176.217 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -137.84 147.93 44.99 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.3 -1.0 . . . . 25.0 108.3 175.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 4.1 mt -138.26 138.51 38.51 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 104.515 -2.402 . . . . 25.0 104.515 176.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -120.97 149.25 42.94 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.386 -0.598 . . . . 25.0 109.386 -176.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 57.71 39.28 90.98 Favored Glycine 0 N--CA 1.463 0.452 0 N-CA-C 114.813 0.685 . . . . 25.0 114.813 173.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -91.0 164.59 13.92 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 122.157 -0.613 . . . . 25.0 112.52 -174.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 78.3 m80 -77.83 55.51 1.4 Allowed 'General case' 0 C--O 1.216 -0.676 0 CA-C-N 114.959 -1.018 . . . . 25.0 109.302 169.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -57.76 -30.15 65.39 Favored 'General case' 0 C--O 1.22 -0.458 0 N-CA-C 112.151 0.426 . . . . 25.0 112.151 -175.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -69.39 -25.45 64.16 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 112.972 0.73 . . . . 25.0 112.972 179.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 61.8 p -126.72 -4.04 6.51 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 116.076 1.88 . . . . 25.0 116.076 -175.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.8 pp -77.5 161.88 27.58 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 121.734 -0.604 . . . . 25.0 110.656 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 84.3 p -126.19 161.56 27.42 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.091 -0.504 . . . . 25.0 109.808 177.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.54 -13.48 62.36 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 116.481 -0.327 . . . . 25.0 111.722 178.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -63.11 -19.48 61.58 Favored Glycine 0 CA--C 1.518 0.252 0 CA-C-N 116.49 -0.323 . . . . 25.0 113.169 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -72.63 -14.27 61.56 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 122.355 -0.497 . . . . 25.0 111.172 177.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 58.2 mt -97.13 140.38 17.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 105.057 -2.201 . . . . 25.0 105.057 178.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 8.3 p -55.56 -31.82 29.21 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 N-CA-C 113.271 0.841 . . . . 25.0 113.271 -178.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -77.38 -25.63 51.09 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 113.516 0.932 . . . . 25.0 113.516 -179.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . 52.74 -156.44 0.17 Allowed 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.242 0.617 . . . . 25.0 111.784 -176.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . 61.1 -25.54 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 120.02 3.341 . . . . 25.0 120.02 174.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -60.41 133.97 56.61 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 113.911 1.078 . . . . 25.0 113.911 -174.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 14.3 t -83.89 151.99 61.81 Favored Pre-proline 0 C--N 1.324 -0.536 0 N-CA-C 107.847 -1.168 . . . . 25.0 107.847 175.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -71.45 165.28 32.95 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 116.694 -1.738 . . . . 25.0 112.753 176.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.476 0 N-CA-C 107.039 -2.424 . . . . 25.0 107.039 179.222 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 206' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 118.352 -0.832 . . . . 25.0 109.321 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 67.82 160.65 0.17 Allowed 'General case' 0 N--CA 1.478 0.956 0 O-C-N 125.062 1.476 . . . . 25.0 111.072 -176.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -92.66 -166.18 38.79 Favored Glycine 0 N--CA 1.452 -0.275 0 CA-C-O 121.509 0.505 . . . . 25.0 113.45 -177.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.9 t -131.28 -176.72 4.11 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 106.09 -1.819 . . . . 25.0 106.09 178.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -83.21 2.9 33.42 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 114.079 1.14 . . . . 25.0 114.079 -175.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -87.4 -173.57 48.37 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 108.417 -1.873 . . . . 25.0 108.417 171.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 49.8 m-20 -81.04 133.15 35.43 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 118.611 1.205 . . . . 25.0 108.415 178.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -127.03 149.4 49.92 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 112.153 0.427 . . . . 50.0 112.153 -176.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 86.1 t -130.07 104.11 9.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 105.334 -2.098 . . . . 25.0 105.334 170.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 93.3 mt -121.52 138.35 54.33 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.976 -0.379 . . . . 25.0 109.976 -176.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 75.0 mt -131.06 125.5 57.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 108.454 -0.943 . . . . 25.0 108.454 -179.087 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -89.73 174.46 41.13 Favored Glycine 0 CA--C 1.519 0.288 0 CA-C-O 121.569 0.538 . . . . 25.0 113.669 -178.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.6 t -108.3 -169.61 1.54 Allowed 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 123.951 0.9 . . . . 25.0 109.41 -178.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -74.29 -17.59 60.83 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 113.551 0.945 . . . . 25.0 113.551 -175.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 36.0 m -75.25 162.55 4.37 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 N-CA-C 109.491 -0.559 . . . . 25.0 109.491 178.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.38 135.43 19.65 Favored Glycine 0 C--O 1.229 -0.163 0 N-CA-C 110.396 -1.081 . . . . 25.0 110.396 178.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -138.82 164.82 28.63 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 112.435 0.531 . . . . 75.0 112.435 -173.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -129.95 115.78 17.66 Favored 'General case' 0 C--O 1.238 0.487 0 N-CA-C 106.835 -1.543 . . . . 25.0 106.835 176.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 53.5 mt -131.12 115.7 30.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.412 0.625 . . . . 25.0 110.72 -175.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 81.2 p -101.33 138.72 37.97 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.531 -0.914 . . . . 25.0 108.531 176.057 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -88.72 -30.62 14.77 Favored Glycine 0 C--O 1.227 -0.334 0 N-CA-C 114.901 0.72 . . . . 25.0 114.901 -178.266 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.22 -161.85 49.82 Favored Glycine 0 C--O 1.244 0.738 0 CA-C-N 117.862 0.831 . . . . 25.0 111.833 -177.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.15 179.03 2.98 Favored 'General case' 0 C--N 1.322 -0.606 0 O-C-N 121.935 -0.744 . . . . 25.0 109.873 177.32 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.47 166.47 34.69 Favored Glycine 0 C--O 1.243 0.661 0 N-CA-C 111.672 -0.571 . . . . 25.0 111.672 -177.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -88.21 125.12 34.47 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 106.492 -1.67 . . . . 25.0 106.492 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -132.06 161.23 33.74 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 114.88 1.437 . . . . 50.0 114.88 -171.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -123.6 121.82 36.56 Favored 'General case' 0 CA--C 1.509 -0.614 0 N-CA-C 106.193 -1.78 . . . . 25.0 106.193 167.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -122.97 104.96 9.57 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.259 -1.015 . . . . 25.0 108.259 -178.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -102.82 133.59 47.64 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 107.196 -1.409 . . . . 25.0 107.196 178.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -96.01 -26.44 11.45 Favored Glycine 0 C--O 1.226 -0.38 0 CA-C-N 116.263 -0.426 . . . . 25.0 113.194 -177.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 70.76 -159.56 53.8 Favored Glycine 0 CA--C 1.522 0.515 0 C-N-CA 120.794 -0.717 . . . . 25.0 111.616 -177.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.25 174.99 8.01 Favored 'General case' 0 C--O 1.245 0.828 0 O-C-N 121.776 -0.838 . . . . 25.0 110.137 179.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.82 168.37 39.17 Favored Glycine 0 C--O 1.237 0.289 0 N-CA-C 109.8 -1.32 . . . . 25.0 109.8 -176.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -83.12 139.07 33.41 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 107.216 -1.401 . . . . 25.0 107.216 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -140.42 151.7 45.11 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 113.494 0.924 . . . . 50.0 113.494 -172.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.7 mp -112.1 126.45 55.19 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 107.02 -1.474 . . . . 25.0 107.02 177.031 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.6 mp -132.69 133.47 43.58 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.674 0.62 . . . . 25.0 112.674 -176.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -116.93 138.27 51.66 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 109.067 -0.716 . . . . 25.0 109.067 175.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -85.04 -56.25 2.48 Favored Glycine 0 C--O 1.247 0.93 0 C-N-CA 120.235 -0.983 . . . . 25.0 114.225 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.81 -177.19 53.99 Favored Glycine 0 C--O 1.241 0.56 0 N-CA-C 111.406 -0.678 . . . . 25.0 111.406 -177.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.05 163.14 10.35 Favored 'General case' 0 C--O 1.24 0.594 0 N-CA-C 109.758 -0.46 . . . . 25.0 109.758 177.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 85.66 171.87 48.41 Favored Glycine 0 C--O 1.241 0.57 0 N-CA-C 110.452 -1.059 . . . . 25.0 110.452 -177.266 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.9 ptp85 -89.68 130.52 35.95 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 107.305 -1.369 . . . . 25.0 107.305 179.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -128.34 149.4 50.53 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.372 -0.376 . . . . 50.0 111.424 -173.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -123.25 111.59 16.63 Favored 'General case' 0 CA--C 1.509 -0.622 0 N-CA-C 105.587 -2.005 . . . . 25.0 105.587 179.293 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.2 mp -113.48 120.03 39.63 Favored 'General case' 0 C--O 1.214 -0.805 0 N-CA-C 109.686 -0.487 . . . . 25.0 109.686 -171.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.6 m -104.92 111.68 24.53 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.295 -0.631 . . . . 25.0 109.295 -178.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -77.23 -43.49 16.19 Favored Glycine 0 C--O 1.236 0.256 0 C-N-CA 119.777 -1.201 . . . . 25.0 112.358 -177.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 73.78 -164.44 54.78 Favored Glycine 0 C--O 1.243 0.683 0 C-N-CA 120.954 -0.641 . . . . 25.0 111.592 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.2 mp -63.94 155.45 30.82 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.483 -0.562 . . . . 25.0 109.483 178.394 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 92.68 167.96 39.5 Favored Glycine 0 C--O 1.245 0.843 0 N-CA-C 110.109 -1.196 . . . . 25.0 110.109 -178.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -84.11 130.04 34.87 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 106.531 -1.655 . . . . 25.0 106.531 178.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -126.12 145.61 50.27 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.483 -0.562 . . . . 50.0 109.483 -175.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.8 t -122.41 133.31 54.63 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.33 -0.989 . . . . 25.0 108.33 176.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -118.14 130.27 56.01 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 105.977 -1.86 . . . . 25.0 105.977 -176.193 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 59.7 ttt-85 -132.08 148.38 52.49 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.479 0.657 . . . . 25.0 112.4 -174.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -67.65 158.57 31.88 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.297 -1.001 . . . . 25.0 108.297 171.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -109.39 -38.53 5.45 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 107.189 -1.412 . . . . 25.0 107.189 167.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.2 tp -145.34 170.42 16.36 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.979 -0.749 . . . . 25.0 108.979 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 17.1 ttm180 -59.21 -31.89 69.44 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 121.54 0.686 . . . . 25.0 110.976 176.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -74.44 6.81 3.37 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 114.166 1.173 . . . . 25.0 114.166 -178.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.25 -36.02 76.81 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 113.544 0.942 . . . . 25.0 113.544 -178.434 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 38.2 p -149.52 104.09 3.33 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 118.438 0.563 . . . . 25.0 112.023 -176.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.42 ' HD2' ' CD1' ' A' ' 128' ' ' PHE . 8.3 t-80 -152.18 160.94 43.29 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.834 0.35 . . . . 25.0 110.286 -178.015 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 22.6 mtm105 -100.68 152.77 20.06 Favored 'General case' 0 C--O 1.216 -0.672 0 N-CA-C 106.952 -1.499 . . . . 25.0 106.952 174.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 28.5 t -150.52 158.0 36.09 Favored Pre-proline 0 C--N 1.319 -0.72 0 N-CA-C 106.465 -1.68 . . . . 25.0 106.465 -176.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -67.19 -13.7 40.54 Favored 'Trans proline' 0 CA--C 1.538 0.72 0 C-N-CA 115.578 -2.482 . . . . 25.0 112.739 173.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.9 mp -76.04 -6.34 50.63 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.396 0.617 . . . . 25.0 110.592 175.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 127.23 170.85 12.94 Favored Glycine 0 N--CA 1.45 -0.377 0 N-CA-C 109.117 -1.593 . . . . 25.0 109.117 -178.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 9.7 t -85.55 139.65 31.28 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.532 -0.914 . . . . 25.0 108.532 178.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -117.56 25.36 10.47 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.481 -1.303 . . . . 25.0 107.481 178.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.5 t -65.1 144.07 57.48 Favored 'General case' 0 C--O 1.242 0.707 0 CA-C-N 114.325 -1.307 . . . . 25.0 110.004 177.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -95.45 149.34 21.5 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.575 -0.739 . . . . 50.0 109.94 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.9 mp -121.28 130.61 53.75 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 106.002 -1.851 . . . . 25.0 106.002 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 18.8 mt -108.31 139.43 30.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 N-CA-C 106.4 -1.704 . . . . 25.0 106.4 176.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 49.9 mt -120.55 151.64 39.14 Favored 'General case' 0 C--N 1.311 -1.071 0 N-CA-C 108.254 -1.017 . . . . 25.0 108.254 -174.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 53.8 43.5 30.89 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-O 121.941 0.877 . . . . 25.0 109.384 -178.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -91.75 126.44 36.83 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.911 -1.04 . . . . 25.0 111.757 -175.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -96.31 101.99 10.01 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.123 -0.944 . . . . 25.0 109.148 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -67.59 -12.05 34.25 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 117.295 -1.337 . . . . 25.0 114.942 -176.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 39.4 t -87.99 -17.22 31.69 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.696 0.999 . . . . 25.0 113.696 177.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -132.92 -35.71 1.06 Allowed 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 114.77 1.396 . . . . 25.0 114.77 -170.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -78.15 159.39 28.64 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.322 -0.621 . . . . 50.0 109.322 -177.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 41.8 tptt -128.31 142.09 51.24 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 112.042 0.386 . . . . 25.0 112.042 -177.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 54.8 mt -122.69 110.63 27.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.668 0 C-N-CA 122.83 0.452 . . . . 25.0 110.7 179.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.09 114.27 26.06 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.612 0.72 . . . . 25.0 110.07 176.076 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.5 m -137.27 30.43 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 CA-C-N 115.136 -0.938 . . . . 25.0 109.792 -177.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.9 t -63.64 -36.89 85.32 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 113.081 0.771 . . . . 25.0 113.081 -176.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.57 -11.22 59.68 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 115.568 1.692 . . . . 25.0 115.568 -174.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 46.8 mt -66.85 -47.15 72.83 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 106.279 -1.748 . . . . 25.0 106.279 178.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 80.37 151.01 6.98 Favored Glycine 0 C--O 1.225 -0.411 0 CA-C-N 113.624 -1.625 . . . . 25.0 111.498 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -144.59 159.73 42.32 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 106.473 -1.677 . . . . 25.0 106.473 -177.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 10.8 tt -110.17 -7.9 11.46 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 N-CA-C 113.169 0.803 . . . . 25.0 113.169 -171.057 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -147.95 174.92 27.51 Favored Glycine 0 C--O 1.226 -0.374 0 C-N-CA 120.29 -0.957 . . . . 25.0 114.559 -178.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 77.5 mt -67.33 -24.55 65.74 Favored 'General case' 0 C--O 1.221 -0.407 0 N-CA-C 117.355 2.354 . . . . 25.0 117.355 -169.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 137.3 68.69 0.05 OUTLIER Glycine 0 C--O 1.221 -0.704 0 N-CA-C 116.73 1.452 . . . . 25.0 116.73 179.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -102.94 -11.03 18.51 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.558 -0.534 . . . . 25.0 109.558 177.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 79.38 -1.96 73.96 Favored Glycine 0 CA--C 1.523 0.556 0 CA-C-N 116.116 -0.493 . . . . 25.0 114.203 -178.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -135.63 161.23 36.12 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.983 -0.747 . . . . 25.0 108.983 -179.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 56.38 37.88 29.22 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 113.724 1.009 . . . . 25.0 113.724 177.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 84.62 29.21 30.25 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.818 -0.706 . . . . 25.0 113.56 174.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 38.8 p -130.69 148.84 52.53 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 106.575 -1.639 . . . . 25.0 106.575 -178.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -94.74 141.4 28.67 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 117.085 2.254 . . . . 25.0 117.085 -168.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -146.42 159.79 42.93 Favored 'General case' 0 C--O 1.239 0.537 0 N-CA-C 106.074 -1.825 . . . . 25.0 106.074 169.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 7.3 p -124.87 143.31 38.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 104.985 -2.228 . . . . 25.0 104.985 176.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 39.4 p -138.2 152.44 48.63 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.654 -0.499 . . . . 25.0 109.654 -174.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 49.8 mt -107.91 156.91 18.67 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.523 0.677 . . . . 25.0 109.904 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 33.2 p -75.48 169.67 17.63 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.591 -0.892 . . . . 25.0 108.591 174.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.63 -11.18 23.07 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 114.748 1.388 . . . . 25.0 114.748 -179.112 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 48.0 p30 -116.67 0.43 12.61 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.314 0.578 . . . . 25.0 109.563 179.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 69.82 2.36 36.99 Favored Glycine 0 C--O 1.225 -0.444 0 CA-C-N 115.797 -0.638 . . . . 25.0 113.952 -178.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 87.7 mt -88.15 -5.77 58.24 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 117.49 0.645 . . . . 25.0 112.503 -173.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 85.2 mtt-85 -137.11 156.27 48.58 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 106.955 -1.498 . . . . 25.0 106.955 178.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 7.0 m -135.88 147.38 48.17 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 107.935 -1.135 . . . . 25.0 107.935 -178.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -132.62 134.48 44.94 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 110.189 -0.3 . . . . 25.0 110.189 178.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 8.4 mp -101.11 132.49 46.54 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 105.584 -2.006 . . . . 25.0 105.584 178.313 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -126.32 147.21 49.77 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.154 0.427 . . . . 25.0 112.154 -174.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 34.2 t -135.81 -34.59 0.81 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.637 -1.165 . . . . 25.0 110.383 175.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER 41.98 53.1 4.25 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 114.848 -1.069 . . . . 25.0 113.605 -179.075 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -56.9 135.25 55.91 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.444 -1.317 . . . . 25.0 107.444 175.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -145.21 43.29 1.31 Allowed 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.723 0.638 . . . . 25.0 112.723 -168.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -56.21 -36.9 68.95 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 120.994 0.425 . . . . 25.0 112.031 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -159.63 -39.03 0.06 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.851 -0.613 . . . . 25.0 112.615 178.294 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 49.6 mm-40 -111.66 -1.62 15.65 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 116.438 2.014 . . . . 25.0 116.438 -171.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 62.79 40.22 98.96 Favored Glycine 0 CA--C 1.521 0.464 0 C-N-CA 120.159 -1.019 . . . . 25.0 113.65 178.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 25.6 mmt180 -112.0 128.48 56.19 Favored 'General case' 0 C--O 1.214 -0.766 0 N-CA-C 102.989 -2.967 . . . . 25.0 102.989 179.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 77.4 p -139.98 165.7 26.62 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 116.971 2.211 . . . . 25.0 116.971 -162.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.42 ' CD1' ' HD2' ' A' ' 64' ' ' HIS . 83.4 m-85 -78.39 111.35 14.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.021 -0.991 . . . . 25.0 108.839 170.326 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -139.61 144.85 37.91 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 109.202 -0.666 . . . . 25.0 109.202 176.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.9 mp -136.19 162.05 34.04 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 107.019 -1.474 . . . . 25.0 107.019 179.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -137.43 155.33 49.47 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.3 -0.63 . . . . 25.0 109.3 176.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 35.0 mt -131.17 139.41 49.75 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 104.807 -2.294 . . . . 25.0 104.807 177.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -126.9 149.51 49.75 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.812 -0.44 . . . . 25.0 109.812 178.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 77.21 43.76 15.46 Favored Glycine 0 C--O 1.225 -0.418 0 N-CA-C 110.365 -1.094 . . . . 25.0 110.365 178.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 24.9 m120 -96.49 149.4 21.78 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 114.466 1.284 . . . . 25.0 114.466 -172.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -88.51 92.72 9.29 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.251 -1.341 . . . . 25.0 110.801 177.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -63.93 -26.45 68.6 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.205 -0.665 . . . . 25.0 109.205 173.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -60.67 -26.07 66.82 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.719 -0.673 . . . . 25.0 110.517 176.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 69.3 p -125.54 39.47 3.95 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 116.622 -0.263 . . . . 25.0 110.63 177.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.2 pp -57.61 137.81 55.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.643 0.735 . . . . 25.0 110.607 -177.076 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 40.8 t -160.46 151.02 18.39 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.291 -1.003 . . . . 25.0 108.291 -177.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -108.81 1.06 20.7 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.829 -0.804 . . . . 25.0 108.829 175.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -74.45 -14.46 80.95 Favored Glycine 0 C--N 1.332 0.312 0 CA-C-N 116.235 -0.439 . . . . 25.0 113.503 -176.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 13.1 p30 -72.38 -18.54 61.73 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 122.267 -0.549 . . . . 25.0 111.149 178.047 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 65.6 mt -77.89 140.91 16.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 104.979 -2.23 . . . . 25.0 104.979 175.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 10.2 p -56.96 -31.9 37.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 N-CA-C 112.942 0.719 . . . . 25.0 112.942 179.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -73.91 -29.84 62.27 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 122.321 -0.237 . . . . 25.0 111.535 177.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . 60.64 169.68 0.09 Allowed 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.109 1.364 . . . . 25.0 113.468 -177.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . 48.3 27.64 1.39 Allowed 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 116.879 2.177 . . . . 25.0 116.879 175.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -63.47 139.75 58.8 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 108.433 -0.951 . . . . 25.0 108.433 177.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 8.9 t -64.08 140.21 97.84 Favored Pre-proline 0 C--O 1.239 0.511 0 CA-C-N 116.383 -0.371 . . . . 25.0 110.394 -178.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -77.66 175.21 11.51 Favored 'Trans proline' 0 C--N 1.353 0.805 0 O-C-N 121.991 0.469 . . . . 25.0 112.406 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.51 0 N-CA-C 107.111 -2.396 . . . . 25.0 107.111 179.257 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 206' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 1.991 0 CA-C-O 119.471 -0.3 . . . . 25.0 110.517 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 44.39 -159.87 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 125.415 1.486 . . . . 25.0 114.837 -176.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -176.23 -163.56 28.96 Favored Glycine 0 C--N 1.329 0.162 0 N-CA-C 106.84 -2.504 . . . . 25.0 106.84 -177.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.3 t -146.9 175.34 10.73 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 118.291 1.045 . . . . 25.0 108.998 -179.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -81.3 142.72 32.83 Favored 'General case' 0 C--N 1.321 -0.642 0 O-C-N 121.242 -0.911 . . . . 25.0 109.003 177.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 122.53 -177.16 16.54 Favored Glycine 0 C--O 1.223 -0.554 0 N-CA-C 107.337 -2.305 . . . . 25.0 107.337 -172.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 20.5 m-20 -91.02 115.64 28.17 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 119.779 1.789 . . . . 25.0 108.6 179.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -111.47 157.72 19.97 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.232 0.539 . . . . 50.0 111.566 -173.02 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 93.5 t -123.4 112.94 35.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 103.41 -2.811 . . . . 25.0 103.41 164.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 53.8 mt -119.22 131.91 55.88 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.736 -0.839 . . . . 25.0 108.736 -174.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 80.1 mt -129.98 128.28 64.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 107.526 -1.287 . . . . 25.0 107.526 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -86.34 158.29 31.19 Favored Glycine 0 N--CA 1.448 -0.517 0 CA-C-O 121.685 0.603 . . . . 25.0 113.67 -178.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.9 t -81.93 178.33 8.36 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.511 -0.922 . . . . 25.0 108.511 176.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -74.21 -16.66 60.96 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.784 0.661 . . . . 25.0 112.784 -178.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.6 m -78.95 165.79 2.81 Favored 'Isoleucine or valine' 0 C--O 1.239 0.534 0 N-CA-C 109.431 -0.581 . . . . 25.0 109.431 177.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.23 140.14 28.0 Favored Glycine 0 CA--C 1.516 0.154 0 N-CA-C 110.903 -0.879 . . . . 25.0 110.903 177.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -144.75 167.41 22.64 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.312 0.577 . . . . 50.0 112.475 -175.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -115.55 120.5 39.67 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 105.303 -2.11 . . . . 25.0 105.303 167.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 74.3 mt -123.43 133.21 69.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 106.513 -1.662 . . . . 25.0 106.513 -175.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.8 p -135.8 128.2 30.36 Favored 'General case' 0 C--O 1.215 -0.727 0 N-CA-C 108.58 -0.896 . . . . 25.0 108.58 -178.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -81.12 -22.2 61.44 Favored Glycine 0 C--O 1.227 -0.321 0 C-N-CA 120.274 -0.965 . . . . 25.0 112.819 -177.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 65.35 -154.93 49.96 Favored Glycine 0 C--O 1.244 0.758 0 N-CA-C 110.727 -0.949 . . . . 25.0 110.727 -177.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.13 165.87 24.2 Favored 'General case' 0 C--O 1.245 0.868 0 O-C-N 122.062 -0.67 . . . . 25.0 109.469 178.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 89.48 169.46 44.1 Favored Glycine 0 C--O 1.239 0.451 0 CA-C-N 115.261 -0.881 . . . . 25.0 111.819 -179.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -92.08 112.5 24.46 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 107.707 -1.22 . . . . 25.0 107.707 -177.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -119.18 157.24 28.36 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 113.287 0.847 . . . . 50.0 113.287 -171.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 59.5 ttt85 -115.71 123.95 49.61 Favored 'General case' 0 CA--C 1.509 -0.627 0 N-CA-C 105.444 -2.058 . . . . 25.0 105.444 165.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.9 mp -111.14 142.56 43.15 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 105.914 -1.884 . . . . 25.0 105.914 178.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -132.5 136.09 46.43 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 104.287 -2.486 . . . . 25.0 104.287 168.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -91.47 -22.57 31.28 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 111.025 -0.83 . . . . 25.0 111.025 -179.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 67.91 -159.75 50.81 Favored Glycine 0 C--O 1.249 1.087 0 N-CA-C 109.778 -1.329 . . . . 25.0 109.778 -174.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.24 173.06 10.01 Favored 'General case' 0 C--O 1.245 0.856 0 O-C-N 122.086 -0.656 . . . . 25.0 110.143 178.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 81.59 166.3 36.67 Favored Glycine 0 C--O 1.238 0.37 0 N-CA-C 110.706 -0.957 . . . . 25.0 110.706 -177.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -83.59 132.9 34.88 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 106.918 -1.512 . . . . 25.0 106.918 -179.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -135.35 153.56 51.8 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 113.997 1.11 . . . . 50.0 113.997 -172.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.2 mp -106.37 125.85 51.51 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 104.832 -2.284 . . . . 25.0 104.832 174.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.8 mp -126.59 107.06 9.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.115 0.483 . . . . 25.0 111.297 -177.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -100.62 118.32 36.53 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.926 -0.768 . . . . 25.0 108.926 -178.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -68.59 -48.75 48.37 Favored Glycine 0 C--O 1.249 1.054 0 C-N-CA 120.273 -0.965 . . . . 25.0 114.886 -175.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.97 177.0 50.24 Favored Glycine 0 C--O 1.237 0.294 0 N-CA-C 111.2 -0.76 . . . . 25.0 111.2 -176.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.64 153.83 15.67 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 122.078 -0.66 . . . . 25.0 110.068 179.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 94.55 168.37 36.91 Favored Glycine 0 C--O 1.241 0.566 0 N-CA-C 111.091 -0.804 . . . . 25.0 111.091 -177.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.7 ptp85 -90.49 123.37 34.13 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 107.038 -1.467 . . . . 25.0 107.038 -179.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -124.0 157.77 33.64 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.258 -0.428 . . . . 50.0 111.505 -171.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -123.25 104.81 9.38 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 106.115 -1.809 . . . . 25.0 106.115 179.42 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.5 mp -102.54 113.0 26.0 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.082 -0.508 . . . . 25.0 109.691 -171.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.9 m -102.88 118.66 37.31 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 107.849 -1.167 . . . . 25.0 107.849 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -82.2 -39.38 11.39 Favored Glycine 0 C--O 1.245 0.844 0 C-N-CA 119.539 -1.315 . . . . 25.0 113.008 -176.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.52 -163.21 54.27 Favored Glycine 0 C--O 1.244 0.724 0 N-CA-C 110.564 -1.014 . . . . 25.0 110.564 -176.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 85.7 mt -64.47 157.56 26.3 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.004 0.43 . . . . 25.0 111.024 179.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 90.57 168.62 42.47 Favored Glycine 0 C--O 1.243 0.711 0 CA-C-N 115.379 -0.828 . . . . 25.0 111.065 -178.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.48 128.11 34.25 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 106.667 -1.605 . . . . 25.0 106.667 178.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -124.98 141.17 52.3 Favored 'General case' 0 C--N 1.318 -0.795 0 O-C-N 122.057 -0.402 . . . . 50.0 110.381 -175.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.1 t -112.35 118.39 35.11 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 107.74 -1.207 . . . . 25.0 107.74 176.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -99.33 128.33 45.44 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 106.566 -1.642 . . . . 25.0 106.566 -178.089 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -131.39 152.2 50.85 Favored 'General case' 0 CA--C 1.505 -0.782 0 N-CA-C 115.44 1.645 . . . . 25.0 115.44 -168.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -78.1 156.77 29.78 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 113.371 -1.74 . . . . 25.0 107.122 168.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -124.05 -3.97 8.03 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.678 -0.86 . . . . 25.0 108.678 168.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 32.8 tp -159.36 163.26 35.72 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 105.377 -2.083 . . . . 25.0 105.377 -178.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 40.0 ptt180 -69.77 -27.03 64.58 Favored 'General case' 0 C--O 1.21 -0.99 0 CA-C-N 119.327 0.967 . . . . 25.0 109.982 175.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -88.52 10.83 18.94 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.906 0.86 . . . . 25.0 111.374 -174.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -61.19 -35.46 77.21 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.212 -0.904 . . . . 25.0 112.802 -178.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.1 t -144.72 104.41 4.02 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.61 0.719 . . . . 25.0 110.115 -179.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -145.96 156.72 43.7 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.25 -1.018 . . . . 25.0 108.25 -172.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 49.9 mtm-85 -130.49 134.14 46.83 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 119.066 0.848 . . . . 25.0 110.405 175.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 24.5 t -124.88 154.8 70.9 Favored Pre-proline 0 C--N 1.324 -0.534 0 N-CA-C 106.673 -1.602 . . . . 25.0 106.673 -178.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -67.45 -15.55 45.57 Favored 'Trans proline' 0 CA--C 1.536 0.615 0 C-N-CA 115.996 -2.203 . . . . 25.0 112.696 173.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.8 mp -78.65 -9.4 59.38 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 120.885 0.374 . . . . 25.0 110.545 176.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 152.36 150.37 5.36 Favored Glycine 0 N--CA 1.451 -0.344 0 CA-C-O 121.663 0.591 . . . . 25.0 111.932 179.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.4 t -85.77 141.54 29.6 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.091 -0.707 . . . . 25.0 109.091 178.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -124.65 12.58 8.61 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 107.21 -1.404 . . . . 25.0 107.21 175.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 87.5 p -73.0 143.12 47.7 Favored 'General case' 0 C--O 1.244 0.783 0 CA-C-O 121.373 0.606 . . . . 25.0 110.14 -176.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -82.57 156.23 24.07 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.207 -0.906 . . . . 50.0 109.243 178.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.1 mp -120.91 127.81 52.2 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 105.076 -2.194 . . . . 25.0 105.076 177.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 39.5 mt -100.24 140.89 18.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 105.679 -1.971 . . . . 25.0 105.679 175.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -122.99 146.44 47.62 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 107.659 -1.238 . . . . 25.0 107.659 -174.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 53.47 44.18 30.28 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 122.452 1.12 . . . . 25.0 110.941 176.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -80.66 129.65 34.64 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.329 -1.305 . . . . 25.0 109.816 179.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -97.87 104.81 23.54 Favored Pre-proline 0 C--N 1.324 -0.521 0 N-CA-C 109.244 -0.65 . . . . 25.0 109.244 178.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -73.05 4.33 3.82 Favored 'Trans proline' 0 C--N 1.343 0.285 0 N-CA-C 114.998 1.115 . . . . 25.0 114.998 -177.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 26.5 t -102.32 -8.01 21.58 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 122.192 0.197 . . . . 25.0 111.427 176.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -144.48 -35.8 0.34 Allowed 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 115.351 1.611 . . . . 25.0 115.351 -173.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -80.42 153.49 28.23 Favored 'General case' 0 C--N 1.322 -0.589 0 O-C-N 122.213 -0.305 . . . . 50.0 110.769 -173.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 39.8 tptt -131.66 150.24 52.22 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 109.887 -0.412 . . . . 25.0 109.887 -175.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 43.7 mt -123.6 119.9 58.5 Favored 'Isoleucine or valine' 0 C--O 1.241 0.655 0 N-CA-C 109.375 -0.602 . . . . 25.0 109.375 179.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -90.99 129.01 37.04 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.937 -1.134 . . . . 25.0 107.937 177.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 31.2 m -133.42 21.51 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 CA-C-O 121.482 0.658 . . . . 25.0 111.849 -176.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 25.1 t -55.97 -40.18 72.87 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 114.324 1.231 . . . . 25.0 114.324 -174.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.61 -13.06 61.29 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 113.501 0.926 . . . . 25.0 113.501 -179.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 14.0 mt -87.9 -33.09 18.62 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 106.07 -1.826 . . . . 25.0 106.07 -179.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 70.36 37.48 70.35 Favored Glycine 0 C--O 1.226 -0.354 0 N-CA-C 116.792 1.477 . . . . 25.0 116.792 168.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -58.88 134.5 56.97 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.705 -0.85 . . . . 25.0 108.705 177.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 9.7 tp -124.77 -22.26 2.47 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 N-CA-C 114.297 1.221 . . . . 25.0 114.297 -170.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -105.64 158.5 15.77 Favored Glycine 0 C--O 1.229 -0.207 0 C-N-CA 120.683 -0.77 . . . . 25.0 114.376 -178.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 85.2 mt -59.37 -37.52 78.12 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 116.204 1.927 . . . . 25.0 116.204 -173.244 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 146.63 70.02 0.01 OUTLIER Glycine 0 C--O 1.221 -0.701 0 N-CA-C 121.395 3.318 . . . . 25.0 121.395 176.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -97.67 -11.14 23.86 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 108.751 -0.833 . . . . 25.0 108.751 170.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 85.15 1.08 88.63 Favored Glycine 0 N--CA 1.459 0.231 0 CA-C-N 115.953 -0.567 . . . . 25.0 114.337 179.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -140.76 158.01 44.59 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.654 -0.869 . . . . 25.0 108.654 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 56.02 48.89 16.82 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 113.944 1.09 . . . . 25.0 113.944 175.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 83.41 10.72 81.58 Favored Glycine 0 CA--C 1.51 -0.219 0 C-N-CA 120.693 -0.765 . . . . 25.0 114.108 172.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 21.1 p -118.54 131.02 56.23 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.907 -1.146 . . . . 25.0 107.907 -177.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -94.6 124.32 38.57 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 116.122 1.897 . . . . 25.0 116.122 -169.34 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -119.57 166.67 12.85 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 109.039 -0.726 . . . . 25.0 109.039 173.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 8.6 p -125.66 152.21 32.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 108.565 -0.902 . . . . 25.0 108.565 -177.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 38.2 m -143.0 161.55 37.81 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 107.366 -1.346 . . . . 25.0 107.366 179.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 26.6 mt -126.59 157.46 38.82 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.641 -0.503 . . . . 25.0 109.641 -179.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 29.4 t -75.76 159.61 30.88 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 106.926 -1.509 . . . . 25.0 106.926 172.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -66.45 -9.19 31.71 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 113.646 0.98 . . . . 25.0 113.646 -177.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 22.9 p30 -110.7 0.34 17.4 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.653 -0.869 . . . . 25.0 108.653 -179.035 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 68.02 4.01 32.8 Favored Glycine 0 C--O 1.226 -0.357 0 CA-C-N 115.71 -0.677 . . . . 25.0 113.986 -177.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 96.3 mt -83.39 -14.27 53.11 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 117.527 0.663 . . . . 25.0 112.431 -173.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 82.2 mtt85 -136.17 154.02 51.08 Favored 'General case' 0 CA--C 1.506 -0.718 0 N-CA-C 109.348 -0.612 . . . . 25.0 109.348 -178.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 4.5 m -134.15 150.02 51.08 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 106.939 -1.504 . . . . 25.0 106.939 -178.271 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -133.33 144.75 49.85 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.108 -1.071 . . . . 25.0 108.108 -178.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 8.2 mp -124.62 132.93 53.4 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 106.507 -1.664 . . . . 25.0 106.507 179.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 67.0 tttt -138.75 132.16 30.28 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 111.518 0.192 . . . . 25.0 111.518 -176.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.2 t -120.25 -27.17 5.31 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 123.776 0.673 . . . . 25.0 111.489 176.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 5.4 t80 44.67 53.61 7.12 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-O 122.537 1.16 . . . . 25.0 112.761 177.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.48 158.21 36.47 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 113.678 -1.601 . . . . 25.0 111.288 -178.245 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -139.29 11.29 2.56 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 122.84 1.305 . . . . 25.0 107.692 171.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -79.81 -41.3 26.72 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 113.351 -1.75 . . . . 25.0 110.187 -171.215 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -82.56 66.71 8.29 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.125 -0.943 . . . . 25.0 110.81 -179.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 3.5 tm0? 62.13 38.22 13.94 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 122.061 0.934 . . . . 25.0 110.311 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 67.48 30.0 74.64 Favored Glycine 0 C--N 1.322 -0.227 0 CA-C-N 115.342 -0.845 . . . . 25.0 113.825 178.063 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 25.6 mmt180 -114.27 134.72 54.74 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.918 -1.141 . . . . 25.0 107.918 178.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 56.9 p -102.99 152.1 21.72 Favored 'General case' 0 C--N 1.322 -0.589 0 O-C-N 124.004 0.815 . . . . 25.0 110.338 -178.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -126.62 138.57 53.46 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.623 -0.88 . . . . 25.0 108.623 178.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -147.3 151.47 36.65 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.148 -1.056 . . . . 25.0 108.148 -175.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 2.2 mt -132.85 169.06 17.3 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 122.854 0.462 . . . . 25.0 111.26 -175.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -148.21 160.33 43.05 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.747 -0.834 . . . . 25.0 108.747 175.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 40.8 mt -138.32 139.49 39.11 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 105.586 -2.005 . . . . 25.0 105.586 179.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.98 144.79 51.74 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 106.708 -1.589 . . . . 25.0 106.708 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 56.95 50.1 66.52 Favored Glycine 0 C--O 1.228 -0.249 0 C-N-CA 120.356 -0.926 . . . . 25.0 112.173 176.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -107.6 161.48 14.82 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 122.372 -0.487 . . . . 25.0 109.982 -176.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 71.1 m80 -77.43 67.7 3.41 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.982 -0.748 . . . . 25.0 108.982 172.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -61.29 -29.94 70.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.942 -0.572 . . . . 25.0 110.278 -179.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.05 -26.76 67.85 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.928 -0.578 . . . . 25.0 111.684 178.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 66.8 p -126.3 26.8 6.35 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 111.943 0.349 . . . . 25.0 111.943 -179.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.4 pp -64.43 154.04 36.9 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.414 0.626 . . . . 25.0 111.835 -175.196 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 99.5 p -149.93 142.93 24.9 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.784 -0.821 . . . . 25.0 108.784 176.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -86.09 -4.93 59.27 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 121.107 0.48 . . . . 25.0 111.466 -178.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -67.62 -10.84 58.88 Favored Glycine 0 C--O 1.227 -0.325 0 C-N-CA 121.29 -0.481 . . . . 25.0 114.031 -178.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -87.64 -6.24 58.36 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 112.563 0.579 . . . . 25.0 112.563 -178.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 84.7 mt -74.67 144.1 12.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 102.565 -3.124 . . . . 25.0 102.565 170.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 4.4 p -53.05 -32.96 19.06 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 N-CA-C 113.466 0.913 . . . . 25.0 113.466 -176.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -75.72 -32.99 60.28 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 113.54 0.941 . . . . 25.0 113.54 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . 51.62 -152.41 0.22 Allowed 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.161 0.584 . . . . 25.0 111.807 -177.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . 55.18 27.46 9.65 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 116.28 1.956 . . . . 25.0 116.28 174.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -71.01 100.49 2.0 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 121.01 0.433 . . . . 25.0 110.373 177.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 7.6 t -77.28 147.73 76.57 Favored Pre-proline 0 CA--C 1.542 0.665 0 N-CA-C 108.958 -0.756 . . . . 25.0 108.958 179.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_endo -75.49 176.85 9.43 Favored 'Trans proline' 0 C--N 1.35 0.605 0 C-N-CA 117.762 -1.025 . . . . 25.0 111.877 177.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.297 0 N-CA-C 107.414 -2.275 . . . . 25.0 107.414 176.087 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 206' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.721 0 CA-C-O 119.044 -0.503 . . . . 25.0 110.143 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 46.7 -161.72 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 125.28 1.432 . . . . 25.0 113.924 -176.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -172.18 -161.4 22.62 Favored Glycine 0 C--O 1.235 0.161 0 N-CA-C 107.538 -2.225 . . . . 25.0 107.538 179.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.3 t -148.96 173.43 13.34 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 107.414 -1.328 . . . . 25.0 107.414 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -81.91 148.72 28.61 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 119.17 0.895 . . . . 25.0 109.206 177.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 117.16 -176.0 15.98 Favored Glycine 0 C--O 1.224 -0.492 0 N-CA-C 107.685 -2.166 . . . . 25.0 107.685 -172.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 46.9 m-20 -91.44 105.75 17.99 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 119.344 1.572 . . . . 25.0 108.994 -179.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -95.74 154.38 17.25 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.663 0.268 . . . . 50.0 110.964 -173.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 65.3 t -129.12 103.37 9.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 104.492 -2.41 . . . . 25.0 104.492 167.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 64.5 mt -123.12 139.43 54.07 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.222 -0.445 . . . . 25.0 111.089 -172.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 89.3 mt -129.37 126.88 64.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 105.715 -1.958 . . . . 25.0 105.715 176.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -77.81 158.13 46.3 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.965 -0.636 . . . . 25.0 113.077 -177.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.5 t -77.21 174.94 10.17 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 107.775 -1.195 . . . . 25.0 107.775 176.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -76.23 -10.3 59.3 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 112.729 0.641 . . . . 25.0 112.729 -178.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.7 m -79.93 166.0 2.65 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 N-CA-C 109.217 -0.66 . . . . 25.0 109.217 175.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.47 139.75 27.13 Favored Glycine 0 CA--C 1.516 0.124 0 N-CA-C 111.028 -0.829 . . . . 25.0 111.028 177.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -146.84 163.9 34.56 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 113.381 0.882 . . . . 50.0 113.381 -174.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -108.6 124.27 50.23 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 104.059 -2.571 . . . . 25.0 104.059 161.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 58.2 mt -124.39 120.14 58.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 N-CA-C 105.536 -2.024 . . . . 25.0 105.536 -178.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 45.6 p -120.07 142.49 48.82 Favored 'General case' 0 C--O 1.214 -0.815 0 N-CA-C 108.552 -0.907 . . . . 25.0 108.552 -175.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -97.51 -22.34 16.84 Favored Glycine 0 C--O 1.225 -0.413 0 C-N-CA 120.421 -0.895 . . . . 25.0 112.246 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 62.55 -148.22 49.34 Favored Glycine 0 C--O 1.244 0.773 0 C-N-CA 120.252 -0.975 . . . . 25.0 110.792 -178.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.54 162.39 28.83 Favored 'General case' 0 C--O 1.245 0.867 0 CA-C-O 121.358 0.599 . . . . 25.0 109.813 178.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.05 167.6 37.43 Favored Glycine 0 C--O 1.239 0.408 0 CA-C-N 115.061 -0.972 . . . . 25.0 112.353 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -91.42 101.4 14.08 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.04 -1.096 . . . . 25.0 108.04 -178.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -106.84 164.16 12.34 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 113.654 0.983 . . . . 50.0 113.654 -170.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -124.52 123.29 39.79 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 105.074 -2.195 . . . . 25.0 105.074 168.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 62.6 mt -122.37 137.74 54.76 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.772 -0.825 . . . . 25.0 108.772 -176.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -131.62 140.28 49.35 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 105.544 -2.021 . . . . 25.0 105.544 174.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -87.73 -25.99 30.92 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 121.355 -0.45 . . . . 25.0 112.397 -179.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 68.12 -158.3 52.05 Favored Glycine 0 C--O 1.245 0.833 0 N-CA-C 108.48 -1.848 . . . . 25.0 108.48 -172.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.2 176.37 8.14 Favored 'General case' 0 C--O 1.247 0.969 0 CA-C-N 118.325 1.062 . . . . 25.0 109.89 177.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.5 167.84 35.06 Favored Glycine 0 C--O 1.237 0.326 0 N-CA-C 110.17 -1.172 . . . . 25.0 110.17 -176.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -83.79 138.07 33.42 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 107.508 -1.293 . . . . 25.0 107.508 -179.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -139.64 147.84 41.59 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 114.662 1.356 . . . . 50.0 114.662 -173.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.2 mp -102.37 124.39 47.86 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 104.694 -2.336 . . . . 25.0 104.694 170.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 19.0 mt -115.24 107.01 14.72 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 107.744 -1.206 . . . . 25.0 107.744 178.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -105.05 94.22 5.12 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.307 -0.861 . . . . 25.0 109.754 -173.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -57.28 -49.31 73.58 Favored Glycine 0 C--O 1.247 0.968 0 N-CA-C 116.995 1.558 . . . . 25.0 116.995 -172.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.21 179.0 50.1 Favored Glycine 0 CA--C 1.519 0.328 0 O-C-N 122.002 -0.705 . . . . 25.0 112.414 -177.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.57 149.49 13.76 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 122.497 -0.413 . . . . 25.0 110.765 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 95.25 163.87 34.71 Favored Glycine 0 C--O 1.243 0.69 0 N-CA-C 110.49 -1.044 . . . . 25.0 110.49 -176.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.2 ptp85 -89.31 126.6 35.59 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 106.661 -1.607 . . . . 25.0 106.661 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -123.66 160.37 27.31 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.982 -0.554 . . . . 50.0 110.456 -171.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.36 111.89 18.32 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 107.31 -1.367 . . . . 25.0 107.31 178.655 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.9 mp -109.16 135.01 50.99 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.789 0.328 . . . . 25.0 111.311 -172.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 28.4 m -129.5 126.22 38.14 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.312 -0.995 . . . . 25.0 108.312 177.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -82.64 -43.07 7.99 Favored Glycine 0 C--O 1.242 0.607 0 C-N-CA 119.925 -1.131 . . . . 25.0 114.859 -175.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.4 -164.05 54.57 Favored Glycine 0 C--O 1.24 0.47 0 N-CA-C 110.27 -1.132 . . . . 25.0 110.27 -175.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 84.3 mt -66.48 160.27 25.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 122.656 -0.32 . . . . 25.0 110.571 178.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 87.42 174.29 48.53 Favored Glycine 0 C--O 1.238 0.371 0 N-CA-C 110.302 -1.119 . . . . 25.0 110.302 -177.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.75 134.34 33.96 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 107.127 -1.434 . . . . 25.0 107.127 177.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -133.78 142.36 47.86 Favored 'General case' 0 C--N 1.319 -0.719 0 O-C-N 121.718 -0.614 . . . . 50.0 110.832 -175.024 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.9 t -113.86 123.2 49.22 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 122.26 1.029 . . . . 25.0 110.659 173.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -89.59 99.79 12.72 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 103.1 -2.926 . . . . 25.0 103.1 176.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 68.7 ttt-85 -120.05 149.54 42.01 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 113.849 1.055 . . . . 25.0 113.849 -160.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -66.08 156.37 34.06 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.502 -1.226 . . . . 25.0 110.879 173.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -129.85 -27.76 2.28 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.573 -0.899 . . . . 25.0 108.573 168.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 44.5 tp -145.87 156.59 43.65 Favored 'General case' 0 C--O 1.216 -0.675 0 N-CA-C 106.903 -1.518 . . . . 25.0 106.903 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 40.6 ptt180 -62.29 -24.51 67.34 Favored 'General case' 0 C--O 1.214 -0.787 0 CA-C-O 121.307 0.575 . . . . 25.0 112.472 178.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -87.2 11.84 13.14 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.323 0.582 . . . . 25.0 112.324 -177.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.58 -41.25 73.09 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 115.362 1.616 . . . . 25.0 115.362 -176.239 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 34.6 p -148.75 106.61 3.69 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.636 -0.505 . . . . 25.0 109.636 -176.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.507 ' HD2' ' CD1' ' A' ' 128' ' ' PHE . 13.3 t-80 -151.53 172.93 15.24 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.659 0.266 . . . . 25.0 110.313 -174.59 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -104.06 159.05 15.99 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 107.864 -1.161 . . . . 25.0 107.864 174.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 28.0 t -151.85 154.89 33.41 Favored Pre-proline 0 C--N 1.319 -0.752 0 N-CA-C 106.221 -1.77 . . . . 25.0 106.221 178.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -67.33 -14.28 42.27 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 115.843 -2.304 . . . . 25.0 112.139 173.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 76.0 mt -81.87 -0.67 44.68 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 122.751 0.42 . . . . 25.0 111.686 177.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 127.89 171.99 13.13 Favored Glycine 0 C--O 1.226 -0.392 0 N-CA-C 110.472 -1.051 . . . . 25.0 110.472 -178.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 13.7 t -82.06 148.59 28.51 Favored 'General case' 0 C--N 1.321 -0.66 0 O-C-N 121.756 -0.849 . . . . 25.0 109.557 179.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -125.95 23.56 7.18 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 106.273 -1.751 . . . . 25.0 106.273 176.214 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 26.0 p -64.33 139.15 58.74 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.985 -1.007 . . . . 25.0 109.805 178.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -82.29 155.94 24.57 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-O 120.927 0.394 . . . . 50.0 110.188 177.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.1 mp -120.81 129.67 53.66 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.955 -1.021 . . . . 25.0 108.507 179.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 11.6 mt -108.01 146.28 14.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 N-CA-C 105.61 -1.996 . . . . 25.0 105.61 174.259 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -81.13 170.17 16.5 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 106.924 -1.51 . . . . 25.0 106.924 174.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -56.18 138.13 50.56 Favored 'General case' 0 C--O 1.242 0.705 0 N-CA-C 108.079 -1.082 . . . . 25.0 108.079 175.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 25.1 p90 -142.1 -171.48 3.38 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 113.468 0.914 . . . . 25.0 113.468 -174.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -99.36 90.21 1.13 Allowed Pre-proline 0 N--CA 1.474 0.743 0 C-N-CA 123.086 0.554 . . . . 25.0 110.69 -176.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -73.05 1.09 6.94 Favored 'Trans proline' 0 CA--C 1.533 0.458 0 N-CA-C 115.242 1.208 . . . . 25.0 115.242 -174.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 34.4 t -87.51 -9.33 54.81 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 122.324 -0.235 . . . . 25.0 110.663 174.179 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -137.68 -31.94 0.77 Allowed 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 113.685 0.994 . . . . 25.0 113.685 -174.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -85.55 174.68 9.28 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.109 0.481 . . . . 50.0 111.404 -173.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 51.3 tptt -147.95 146.28 28.92 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.918 -0.583 . . . . 25.0 110.774 -169.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 73.4 mt -116.91 112.08 37.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 106.205 -1.776 . . . . 25.0 106.205 172.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -110.4 111.59 22.97 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.343 0.592 . . . . 25.0 109.959 -177.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 15.3 m -125.5 21.45 3.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 CA-C-N 115.377 -0.829 . . . . 25.0 111.709 -176.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.7 t -55.65 -41.83 74.16 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 114.349 1.24 . . . . 25.0 114.349 -175.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -76.2 -3.76 38.1 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 115.424 1.639 . . . . 25.0 115.424 -174.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 25.3 mt -75.54 -43.58 48.01 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 105.413 -2.069 . . . . 25.0 105.413 176.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 100.03 135.36 8.88 Favored Glycine 0 C--O 1.222 -0.636 0 CA-C-N 113.102 -1.863 . . . . 25.0 112.701 176.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -147.3 162.96 37.89 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 105.312 -2.107 . . . . 25.0 105.312 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 6.1 tp -120.06 -12.9 9.42 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 N-CA-C 113.242 0.83 . . . . 25.0 113.242 -174.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -143.37 165.41 27.09 Favored Glycine 0 C--O 1.227 -0.326 0 C-N-CA 120.488 -0.863 . . . . 25.0 113.471 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 84.4 mt -64.59 -38.11 89.9 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 115.53 1.678 . . . . 25.0 115.53 -171.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 157.23 95.6 0.11 Allowed Glycine 0 C--O 1.226 -0.377 0 N-CA-C 118.234 2.054 . . . . 25.0 118.234 -176.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -136.63 -0.62 2.36 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 122.472 0.309 . . . . 25.0 110.319 175.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 81.08 -2.44 81.13 Favored Glycine 0 N--CA 1.46 0.254 0 N-CA-C 117.067 1.587 . . . . 25.0 117.067 177.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -141.09 152.74 45.02 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 117.296 0.548 . . . . 25.0 111.022 -177.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 54.8 48.73 19.47 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 114.039 1.126 . . . . 25.0 114.039 175.259 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 84.98 19.95 58.48 Favored Glycine 0 CA--C 1.51 -0.226 0 C-N-CA 120.391 -0.909 . . . . 25.0 113.528 174.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 30.1 p -128.61 139.91 52.03 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 105.869 -1.901 . . . . 25.0 105.869 179.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 22.2 mt -90.07 163.38 14.91 Favored 'General case' 0 C--O 1.217 -0.654 0 N-CA-C 115.761 1.763 . . . . 25.0 115.761 -171.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -153.46 164.27 38.5 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 106.383 -1.71 . . . . 25.0 106.383 172.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 10.7 p -122.36 152.14 26.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 106.039 -1.837 . . . . 25.0 106.039 177.117 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 47.0 m -146.46 161.75 39.74 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 107.758 -1.201 . . . . 25.0 107.758 178.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 41.1 mt -131.29 161.91 31.25 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 107.907 -1.145 . . . . 25.0 107.907 179.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 40.8 p -77.81 167.51 21.41 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 106.388 -1.708 . . . . 25.0 106.388 170.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.16 -11.02 35.91 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 113.902 1.075 . . . . 25.0 113.902 -176.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -120.48 4.4 10.69 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.102 -0.703 . . . . 25.0 109.102 -175.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 70.85 4.97 56.32 Favored Glycine 0 CA--C 1.52 0.399 0 N-CA-C 114.701 0.64 . . . . 25.0 114.701 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 88.5 mt -78.18 -8.31 58.15 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 113.606 0.965 . . . . 25.0 113.606 -175.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 3.5 mmt85 -140.25 147.31 39.81 Favored 'General case' 0 CA--C 1.511 -0.545 0 N-CA-C 108.511 -0.922 . . . . 25.0 108.511 177.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 6.1 m -127.13 141.62 51.71 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 107.911 -1.144 . . . . 25.0 107.911 177.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -129.04 151.41 49.76 Favored 'General case' 0 C--N 1.32 -0.694 0 O-C-N 121.741 -0.599 . . . . 25.0 110.487 -175.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 86.7 mt -126.99 135.29 50.65 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 106.545 -1.65 . . . . 25.0 106.545 174.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -143.97 136.81 27.25 Favored 'General case' 0 C--O 1.22 -0.469 0 N-CA-C 113.222 0.823 . . . . 25.0 113.222 -174.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.2 t -112.97 -17.21 12.52 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 112.816 0.673 . . . . 25.0 112.816 176.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 10.0 t80 32.69 60.94 0.38 Allowed 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 114.451 1.278 . . . . 25.0 114.451 -170.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -64.55 135.74 56.31 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 105.272 -2.122 . . . . 25.0 105.272 174.04 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -118.66 15.02 13.61 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.764 0.792 . . . . 25.0 111.846 -171.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -62.19 -34.96 77.44 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 114.204 -1.362 . . . . 25.0 111.059 -176.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -143.7 103.79 4.11 Favored 'General case' 0 C--O 1.219 -0.503 0 CA-C-N 115.83 -0.623 . . . . 25.0 110.356 178.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 50.54 26.86 2.59 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 115.841 1.793 . . . . 25.0 115.841 175.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 65.54 23.65 70.53 Favored Glycine 0 CA--C 1.523 0.534 0 C-N-CA 120.688 -0.768 . . . . 25.0 113.778 -178.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 -83.71 132.46 34.86 Favored 'General case' 0 C--O 1.219 -0.548 0 N-CA-C 103.134 -2.913 . . . . 25.0 103.134 175.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 41.3 t -143.64 160.67 40.26 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 113.749 1.018 . . . . 25.0 113.749 -166.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.507 ' CD1' ' HD2' ' A' ' 64' ' ' HIS . 65.1 m-85 -70.54 107.29 3.8 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 107.656 -1.239 . . . . 25.0 107.656 170.398 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -136.73 150.51 48.47 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.241 -0.651 . . . . 25.0 109.241 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 5.7 mp -131.46 153.53 49.65 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 107.208 -1.405 . . . . 25.0 107.208 177.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -140.88 103.59 4.52 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 106.628 -1.619 . . . . 25.0 106.628 178.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -117.44 174.04 6.36 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.551 -0.537 . . . . 25.0 109.551 -174.386 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -75.58 -162.92 0.22 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.173 -0.467 . . . . 25.0 110.965 -179.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -76.57 -170.61 31.97 Favored Glycine 0 N--CA 1.452 -0.244 0 N-CA-C 111.406 -0.678 . . . . 25.0 111.406 -178.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -161.26 164.09 30.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 121.973 -0.722 . . . . 25.0 111.523 -178.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 74.9 m80 -78.05 81.74 4.42 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-O 121.097 0.475 . . . . 25.0 109.759 175.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -60.25 -29.3 68.68 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.092 -0.706 . . . . 25.0 109.092 176.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -60.15 -24.57 64.83 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 115.633 -0.712 . . . . 25.0 111.681 176.121 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 51.8 p -122.23 27.94 7.72 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 112.209 0.448 . . . . 25.0 112.209 178.293 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.7 pp -66.88 159.52 28.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.345 0.593 . . . . 25.0 111.687 -177.293 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 83.1 p -140.33 147.52 39.98 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.197 -1.038 . . . . 25.0 108.197 174.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -70.72 -12.75 61.74 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.179 0.514 . . . . 25.0 112.143 -177.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -88.68 9.01 77.76 Favored Glycine 0 C--O 1.225 -0.434 0 N-CA-C 114.373 0.509 . . . . 25.0 114.373 -177.276 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -58.4 -45.6 88.06 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 114.411 1.263 . . . . 25.0 114.411 -175.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 49.1 pt -90.09 161.0 2.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.199 -0.667 . . . . 25.0 109.199 -179.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 10.0 p -58.46 -27.79 34.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 N-CA-C 113.673 0.99 . . . . 25.0 113.673 -176.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -88.74 -8.16 54.99 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.671 0.619 . . . . 25.0 112.671 -179.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . 59.14 -159.09 0.3 Allowed 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 114.995 -1.002 . . . . 25.0 109.56 -174.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . 55.66 27.27 10.33 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 113.581 0.956 . . . . 25.0 113.581 -179.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -66.45 130.83 44.51 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.969 -0.752 . . . . 25.0 108.969 178.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 11.5 t -70.18 146.24 94.48 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 116.052 -0.522 . . . . 25.0 109.778 179.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -72.26 167.94 25.51 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 117.194 -1.404 . . . . 25.0 111.016 173.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.224 0 N-CA-C 105.113 -3.195 . . . . 25.0 105.113 178.132 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 206' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 . . . . . 0 N--CA 1.477 0.891 0 N-CA-C 109.676 -0.49 . . . . 25.0 109.676 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -103.75 178.72 25.1 Favored Glycine 0 N--CA 1.451 -0.307 0 N-CA-C 111.643 -0.583 . . . . 25.0 111.643 -178.243 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.8 t -133.64 -171.49 2.73 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 106.309 -1.737 . . . . 25.0 106.309 179.515 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -75.49 140.39 42.78 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 108.061 -1.088 . . . . 25.0 108.061 178.214 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.49 -175.91 19.17 Favored Glycine 0 C--N 1.323 -0.174 0 N-CA-C 107.371 -2.292 . . . . 25.0 107.371 -170.107 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -89.03 139.27 30.62 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 119.061 1.431 . . . . 25.0 110.345 -176.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -132.94 152.75 51.87 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-O 121.171 0.51 . . . . 50.0 111.513 -178.718 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 96.0 t -124.57 114.24 39.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 104.189 -2.522 . . . . 25.0 104.189 170.493 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 67.9 mt -119.31 133.13 55.89 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.294 -0.632 . . . . 25.0 109.294 -173.693 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 71.5 mt -126.66 123.7 63.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 108.269 -1.012 . . . . 25.0 108.269 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -87.71 156.77 28.06 Favored Glycine 0 N--CA 1.451 -0.328 0 CA-C-O 121.569 0.538 . . . . 25.0 112.705 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 88.4 p -90.0 -179.1 5.62 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 123.805 0.842 . . . . 25.0 110.786 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -63.82 -26.51 68.66 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 115.498 1.666 . . . . 25.0 115.498 -177.728 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.9 m -79.23 166.1 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.779 -0.452 . . . . 25.0 109.779 -178.568 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.46 139.15 28.62 Favored Glycine 0 N--CA 1.453 -0.191 0 N-CA-C 109.991 -1.244 . . . . 25.0 109.991 176.696 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -141.97 160.99 39.1 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 117.304 0.552 . . . . 50.0 111.395 -173.435 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -117.57 115.62 25.48 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 105.619 -1.993 . . . . 25.0 105.619 173.358 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 53.2 mt -127.19 124.37 64.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.59 -0.277 . . . . 25.0 110.339 -172.22 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 69.6 p -115.58 142.56 46.56 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.887 -0.783 . . . . 25.0 108.887 174.747 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.62 -21.84 35.86 Favored Glycine 0 C--O 1.24 0.497 0 C-N-CA 121.201 -0.523 . . . . 25.0 114.077 -178.104 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 74.92 -164.7 54.61 Favored Glycine 0 C--O 1.248 1.001 0 O-C-N 122.201 -0.587 . . . . 25.0 111.764 -176.55 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.9 170.74 13.1 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 121.802 -0.822 . . . . 25.0 108.968 177.27 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.73 175.66 49.4 Favored Glycine 0 C--O 1.241 0.578 0 CA-C-N 116.435 -0.348 . . . . 25.0 113.453 178.514 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -85.85 115.12 23.29 Favored 'General case' 0 CA--C 1.512 -0.488 0 N-CA-C 108.78 -0.822 . . . . 25.0 108.78 -178.428 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -125.66 153.86 43.21 Favored 'General case' 0 C--O 1.241 0.649 0 N-CA-C 113.351 0.871 . . . . 50.0 113.351 -174.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 45.0 ttt85 -113.93 130.58 56.5 Favored 'General case' 0 CA--C 1.509 -0.612 0 N-CA-C 105.504 -2.036 . . . . 25.0 105.504 167.108 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.2 mp -118.51 133.89 55.51 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 106.66 -1.607 . . . . 25.0 106.66 176.749 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -125.25 135.3 52.4 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 105.912 -1.884 . . . . 25.0 105.912 177.101 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -103.17 -30.53 5.35 Favored Glycine 0 C--N 1.32 -0.321 0 N-CA-C 114.694 0.638 . . . . 25.0 114.694 -175.357 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 67.28 -154.93 52.89 Favored Glycine 0 C--O 1.246 0.878 0 C-N-CA 120.408 -0.901 . . . . 25.0 111.604 -176.708 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.89 175.31 6.68 Favored 'General case' 0 C--O 1.248 0.987 0 O-C-N 122.225 -0.573 . . . . 25.0 109.926 178.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 81.08 161.22 26.1 Favored Glycine 0 C--O 1.241 0.544 0 N-CA-C 111.08 -0.808 . . . . 25.0 111.08 -178.476 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -84.36 124.02 30.83 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 106.293 -1.743 . . . . 25.0 106.293 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -124.26 151.53 44.08 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 113.246 0.832 . . . . 50.0 113.246 -171.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 mp -111.81 124.93 53.4 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 106.867 -1.531 . . . . 25.0 106.867 175.483 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.1 mp -124.97 114.89 19.73 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.703 0.631 . . . . 25.0 112.703 -175.095 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -105.02 116.47 32.0 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 116.028 -0.533 . . . . 25.0 109.821 179.379 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -66.94 -45.18 85.74 Favored Glycine 0 C--O 1.248 1.001 0 C-N-CA 120.488 -0.863 . . . . 25.0 115.218 -177.228 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.98 174.57 42.95 Favored Glycine 0 CA--C 1.519 0.294 0 N-CA-C 111.191 -0.764 . . . . 25.0 111.191 -177.332 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.84 153.85 10.23 Favored 'General case' 0 C--O 1.238 0.448 0 O-C-N 121.962 -0.728 . . . . 25.0 111.541 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 88.46 167.94 43.69 Favored Glycine 0 C--O 1.239 0.451 0 N-CA-C 110.795 -0.922 . . . . 25.0 110.795 -175.754 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.0 ptp85 -80.98 145.12 31.36 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 107.389 -1.337 . . . . 25.0 107.389 178.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -140.17 162.88 34.18 Favored 'General case' 0 C--N 1.317 -0.844 0 O-C-N 122.029 -0.42 . . . . 50.0 111.53 -175.526 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -127.61 115.59 19.01 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 106.235 -1.765 . . . . 25.0 106.235 177.553 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.8 mp -113.47 127.93 56.27 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.636 0.255 . . . . 25.0 111.253 -172.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.51 115.32 23.21 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.355 -0.98 . . . . 25.0 108.355 -179.03 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -80.36 -40.87 12.4 Favored Glycine 0 N--CA 1.462 0.41 0 C-N-CA 120.288 -0.958 . . . . 25.0 115.377 -175.322 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.66 -166.79 54.86 Favored Glycine 0 C--O 1.242 0.632 0 C-N-CA 120.775 -0.726 . . . . 25.0 111.505 -175.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 74.4 mt -62.34 157.91 18.68 Favored 'General case' 0 C--O 1.241 0.629 0 C-N-CA 122.618 0.367 . . . . 25.0 111.242 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 91.25 168.59 41.68 Favored Glycine 0 C--O 1.244 0.729 0 N-CA-C 110.725 -0.95 . . . . 25.0 110.725 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.69 125.34 31.77 Favored 'General case' 0 C--O 1.217 -0.619 0 N-CA-C 106.028 -1.842 . . . . 25.0 106.028 177.553 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -124.64 146.93 48.83 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 109.4 -0.592 . . . . 50.0 109.4 -175.667 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.6 t -119.59 133.23 55.75 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 108.361 -0.978 . . . . 25.0 108.361 177.154 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -113.67 124.22 51.78 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 106.22 -1.77 . . . . 25.0 106.22 -178.413 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 40.0 ttt85 -131.35 152.84 50.23 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 113.717 1.006 . . . . 25.0 113.717 -171.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 28.7 p90 -70.26 155.79 40.16 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.166 -1.379 . . . . 25.0 107.864 167.717 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -122.68 -19.21 6.34 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 108.973 -0.751 . . . . 25.0 108.973 169.379 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -129.03 164.01 24.15 Favored 'General case' 0 C--O 1.221 -0.432 0 N-CA-C 107.7 -1.222 . . . . 25.0 107.7 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 37.4 ptt180 -75.31 -16.62 60.4 Favored 'General case' 0 C--O 1.21 -1.013 0 CA-C-O 121.542 0.687 . . . . 25.0 109.991 173.787 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -106.73 13.35 28.12 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.604 0.716 . . . . 25.0 110.195 -176.573 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -57.24 -33.07 67.2 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 115.058 1.503 . . . . 25.0 115.058 -173.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 36.8 p -145.82 97.85 3.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.793 0.33 . . . . 25.0 111.228 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -142.07 166.65 24.11 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.933 -0.395 . . . . 25.0 109.933 177.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -132.67 153.03 51.5 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 107.479 -1.304 . . . . 25.0 107.479 178.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 94.5 p -155.59 169.13 10.86 Favored Pre-proline 0 C--N 1.318 -0.761 0 N-CA-C 106.237 -1.764 . . . . 25.0 106.237 -175.61 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -69.9 -10.63 28.9 Favored 'Trans proline' 0 CA--C 1.538 0.676 0 C-N-CA 116.12 -2.12 . . . . 25.0 112.852 175.075 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 70.0 mt -79.85 -6.09 56.71 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 120.994 0.426 . . . . 25.0 110.509 177.294 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 135.65 169.86 11.94 Favored Glycine 0 N--CA 1.45 -0.373 0 CA-C-O 121.799 0.666 . . . . 25.0 112.641 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.1 t -95.86 138.29 33.71 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.594 -0.891 . . . . 25.0 108.594 177.436 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -131.13 20.45 4.88 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 106.901 -1.518 . . . . 25.0 106.901 178.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 85.1 p -78.11 158.95 28.93 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 115.531 -0.759 . . . . 25.0 110.589 -178.307 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -98.52 155.49 17.25 Favored 'General case' 0 C--O 1.241 0.637 0 CA-C-O 120.913 0.387 . . . . 50.0 110.692 178.056 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.4 mp -124.34 135.56 53.42 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 106.674 -1.602 . . . . 25.0 106.674 177.078 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 56.6 mt -107.93 145.04 15.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 N-CA-C 103.289 -2.856 . . . . 25.0 103.289 175.346 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 83.1 mt -110.61 136.69 49.33 Favored 'General case' 0 C--N 1.318 -0.782 0 O-C-N 123.851 0.719 . . . . 25.0 111.36 -172.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 65.78 -60.24 0.29 Allowed 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 126.316 1.847 . . . . 25.0 114.894 176.67 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 28.2 t80 59.2 131.48 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 117.484 2.402 . . . . 25.0 117.484 173.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -102.12 96.06 6.48 Favored Pre-proline 0 N--CA 1.473 0.713 0 O-C-N 121.29 -0.881 . . . . 25.0 109.43 176.591 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -68.94 -10.93 30.53 Favored 'Trans proline' 0 C--N 1.348 0.5 0 N-CA-C 115.135 1.167 . . . . 25.0 115.135 -176.698 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 41.0 t -79.38 -14.46 58.95 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 121.82 -0.55 . . . . 25.0 112.318 176.284 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -137.95 -33.29 0.71 Allowed 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 115.544 1.683 . . . . 25.0 115.544 -170.208 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -85.8 158.53 19.96 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 113.788 1.032 . . . . 50.0 113.788 -169.361 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 45.3 tptt -129.12 144.37 51.18 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.382 0.673 . . . . 25.0 111.478 -176.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 51.5 mt -127.08 127.01 69.15 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 N-CA-C 107.603 -1.258 . . . . 25.0 107.603 177.611 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -111.0 131.77 54.77 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.498 -0.556 . . . . 25.0 109.498 178.103 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 26.9 m -131.8 11.04 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 CA-C-O 121.639 0.733 . . . . 25.0 111.913 -176.384 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.66 -29.68 62.55 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 117.41 2.374 . . . . 25.0 117.41 -172.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -76.92 -10.94 59.71 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 113.786 1.032 . . . . 25.0 113.786 -178.216 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 21.8 mt -85.45 -43.71 13.37 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 106.134 -1.802 . . . . 25.0 106.134 179.453 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.68 0 CA-C-N 114.272 -1.331 . . . . 25.0 112.356 -179.559 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 . . . . . 0 N--CA 1.478 0.928 0 N-CA-C 112.135 0.42 . . . . 25.0 112.135 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 100.66 1.0 55.33 Favored Glycine 0 C--O 1.236 0.25 0 N-CA-C 116.279 1.271 . . . . 25.0 116.279 171.639 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -133.08 158.82 41.82 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.676 0.238 . . . . 25.0 110.384 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 53.73 43.53 30.92 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 113.236 0.828 . . . . 25.0 113.236 176.212 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 87.03 3.47 82.78 Favored Glycine 0 C--O 1.236 0.221 0 C-N-CA 120.973 -0.632 . . . . 25.0 114.101 173.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 72.1 p -100.28 141.45 33.11 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 106.96 -1.496 . . . . 25.0 106.96 176.354 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 13.5 mt -82.58 160.65 22.49 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 121.841 -0.537 . . . . 25.0 111.906 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -154.37 167.66 29.23 Favored 'General case' 0 C--O 1.242 0.678 0 N-CA-C 104.841 -2.281 . . . . 25.0 104.841 166.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 10.7 p -116.99 149.44 19.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 107.416 -1.328 . . . . 25.0 107.416 177.694 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 24.8 m -140.94 161.98 36.56 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 107.326 -1.361 . . . . 25.0 107.326 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 77.6 mt . . . . . 0 C--N 1.321 -0.637 0 N-CA-C 108.152 -1.055 . . . . 25.0 108.152 -179.772 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 . . . . . 0 CA--C 1.511 -0.533 0 N-CA-C 108.064 -1.087 . . . . 25.0 108.064 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 26.1 m -133.67 146.66 51.07 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 106.758 -1.571 . . . . 25.0 106.758 -176.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -133.81 148.67 51.36 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.508 -0.552 . . . . 25.0 109.508 -177.299 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 8.1 mp -120.75 120.31 35.28 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 103.794 -2.669 . . . . 25.0 103.794 174.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -128.86 154.6 46.32 Favored 'General case' 0 CA--C 1.507 -0.704 0 O-C-N 123.115 0.259 . . . . 25.0 111.117 -174.189 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 90.6 p -140.47 -19.46 0.86 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 116.159 1.911 . . . . 25.0 116.159 -177.524 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 16.4 t80 . . . . . 0 CA--C 1.546 0.792 0 CA-C-O 121.477 0.656 . . . . 25.0 111.868 -172.728 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 15.4 m . . . . . 0 N--CA 1.451 -0.4 0 CA-C-O 120.755 0.312 . . . . 25.0 111.504 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -99.31 106.08 18.15 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.85 -0.796 . . . . 25.0 108.85 177.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -133.09 154.55 50.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.166 -0.47 . . . . 25.0 110.156 -172.737 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.5 mp -134.7 168.01 19.79 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 109.243 -0.651 . . . . 25.0 109.243 -179.02 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -144.04 157.51 44.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.972 0.415 . . . . 25.0 110.609 176.254 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 41.1 mt -131.97 122.01 24.86 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 105.442 -2.058 . . . . 25.0 105.442 176.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -113.22 131.36 55.93 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 108.397 -0.964 . . . . 25.0 108.397 -178.447 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 83.25 8.2 85.65 Favored Glycine 0 C--O 1.221 -0.712 0 N-CA-C 110.739 -0.944 . . . . 25.0 110.739 -177.088 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -57.35 137.92 55.5 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.369 0.877 . . . . 25.0 113.369 -174.683 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 80.5 m80 -76.91 68.19 3.05 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.9 0.857 . . . . 25.0 109.829 171.777 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -62.76 -27.41 69.27 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.111 -0.95 . . . . 25.0 109.927 179.398 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.22 -26.56 67.82 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.825 -0.625 . . . . 25.0 111.855 177.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 46.4 p -124.25 21.09 8.85 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 112.782 0.66 . . . . 25.0 112.782 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.8 pp -64.2 149.36 48.05 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 122.064 -0.397 . . . . 25.0 110.998 -177.168 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 75.1 m -141.32 150.18 42.16 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.087 0.47 . . . . 25.0 110.111 178.382 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.91 -8.94 48.87 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 113.151 0.797 . . . . 25.0 113.151 -177.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -67.5 -22.74 73.38 Favored Glycine 0 CA--C 1.52 0.355 0 C-N-CA 121.027 -0.606 . . . . 25.0 112.895 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -66.26 -27.84 68.26 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 114.853 1.427 . . . . 25.0 114.853 -176.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 43.3 pt -92.0 154.33 3.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 O-C-N 121.838 -0.539 . . . . 25.0 111.092 -176.633 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 11.0 p -57.92 -31.74 41.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 N-CA-C 113.015 0.746 . . . . 25.0 113.015 -176.214 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 . . . . . 0 C--N 1.326 -0.419 0 O-C-N 122.132 -0.355 . . . . 25.0 111.441 -177.524 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 . . . . . 0 N--CA 1.478 0.934 0 N-CA-C 113.23 0.826 . . . . 25.0 113.23 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -96.23 171.21 28.0 Favored Glycine 0 N--CA 1.452 -0.279 0 CA-C-O 121.904 0.724 . . . . 25.0 114.272 -175.156 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.5 t -140.6 -163.43 1.53 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 105.208 -2.145 . . . . 25.0 105.208 178.707 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -69.16 155.46 40.35 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 119.191 0.905 . . . . 25.0 109.182 176.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 92.04 -177.91 40.16 Favored Glycine 0 C--O 1.235 0.17 0 N-CA-C 109.487 -1.445 . . . . 25.0 109.487 -173.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -93.64 127.63 39.41 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 117.75 0.775 . . . . 25.0 109.812 -175.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -119.64 153.25 35.8 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 120.695 0.283 . . . . 50.0 110.722 -178.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 65.6 t -123.65 111.21 28.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 104.941 -2.244 . . . . 25.0 104.941 171.117 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 49.7 mt -115.7 135.0 54.48 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.741 -0.837 . . . . 25.0 108.741 -173.723 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 46.4 mm -125.29 136.95 59.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 105.498 -2.038 . . . . 25.0 105.498 -176.304 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -90.18 178.65 43.44 Favored Glycine 0 N--CA 1.452 -0.241 0 CA-C-O 121.708 0.616 . . . . 25.0 113.417 -177.496 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 98.2 p -126.31 178.16 6.0 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.034 -0.728 . . . . 25.0 109.034 179.434 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -59.79 -41.34 90.95 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 114.474 1.287 . . . . 25.0 114.474 -176.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.4 m -71.04 164.88 3.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.874 0.368 . . . . 25.0 111.615 -177.318 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -69.67 139.27 31.38 Favored Glycine 0 CA--C 1.517 0.211 0 N-CA-C 110.926 -0.87 . . . . 25.0 110.926 177.083 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -139.67 164.35 30.16 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.282 0.563 . . . . 50.0 112.007 -173.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -129.79 113.99 15.38 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 105.511 -2.033 . . . . 25.0 105.511 175.625 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 55.8 mt -132.78 124.85 51.54 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 CA-C-O 120.763 0.316 . . . . 25.0 110.933 -172.025 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 91.0 p -113.71 146.74 39.37 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.633 -0.506 . . . . 25.0 109.633 174.23 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -91.95 -22.48 30.36 Favored Glycine 0 C--O 1.238 0.398 0 C-N-CA 120.869 -0.681 . . . . 25.0 114.277 -178.238 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.9 -159.38 53.57 Favored Glycine 0 C--O 1.245 0.797 0 C-N-CA 120.91 -0.662 . . . . 25.0 112.095 -177.164 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.88 172.09 10.55 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 109.073 -0.714 . . . . 25.0 109.073 178.427 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.76 171.81 48.53 Favored Glycine 0 C--O 1.242 0.619 0 CA-C-N 116.283 -0.417 . . . . 25.0 112.174 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -90.55 112.82 24.65 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 107.128 -1.434 . . . . 25.0 107.128 -178.257 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -118.67 157.58 27.16 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 113.96 1.096 . . . . 50.0 113.96 -172.059 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.7 mtp180 -112.94 133.91 54.69 Favored 'General case' 0 CA--C 1.505 -0.753 0 N-CA-C 105.184 -2.154 . . . . 25.0 105.184 168.026 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.4 mp -129.71 148.73 51.62 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 107.11 -1.441 . . . . 25.0 107.11 178.025 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -146.11 144.6 30.1 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 105.651 -1.981 . . . . 25.0 105.651 175.186 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -105.46 -21.29 8.88 Favored Glycine 0 N--CA 1.451 -0.321 0 O-C-N 123.516 0.51 . . . . 25.0 112.053 -178.313 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 66.37 -153.86 52.02 Favored Glycine 0 C--O 1.242 0.635 0 N-CA-C 111.021 -0.832 . . . . 25.0 111.021 -175.795 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.32 175.72 7.38 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 122.221 -0.576 . . . . 25.0 109.964 178.218 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 76.85 166.77 25.54 Favored Glycine 0 C--O 1.238 0.378 0 N-CA-C 111.447 -0.661 . . . . 25.0 111.447 -177.589 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -83.27 135.48 34.74 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 106.886 -1.524 . . . . 25.0 106.886 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -135.96 153.41 51.41 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 113.331 0.863 . . . . 50.0 113.331 -173.103 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.0 mp -111.27 125.81 54.22 Favored 'General case' 0 C--O 1.239 0.548 0 N-CA-C 106.651 -1.611 . . . . 25.0 106.651 176.137 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.6 mp -130.37 124.68 32.76 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 112.333 0.494 . . . . 25.0 112.333 -176.58 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -116.32 128.78 55.85 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-O 121.144 0.497 . . . . 25.0 110.404 178.465 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -80.4 -43.64 9.28 Favored Glycine 0 C--O 1.248 0.999 0 N-CA-C 115.998 1.159 . . . . 25.0 115.998 -175.546 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.03 -174.7 54.38 Favored Glycine 0 C--O 1.247 0.944 0 N-CA-C 111.403 -0.679 . . . . 25.0 111.403 -177.347 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.48 162.6 10.01 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 122.406 -0.467 . . . . 25.0 110.399 177.426 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.19 174.88 46.48 Favored Glycine 0 N--CA 1.461 0.323 0 N-CA-C 110.364 -1.094 . . . . 25.0 110.364 -177.272 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.7 ptp85 -100.83 124.29 46.27 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 106.935 -1.505 . . . . 25.0 106.935 179.427 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -123.56 158.62 30.99 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.14 -0.482 . . . . 50.0 112.206 -168.1 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -124.63 112.62 17.0 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 106.841 -1.54 . . . . 25.0 106.841 175.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.7 mp -110.98 137.54 48.49 Favored 'General case' 0 C--O 1.209 -1.034 0 N-CA-C 108.638 -0.875 . . . . 25.0 108.638 -175.44 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.2 m -124.18 125.44 44.45 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 107.502 -1.295 . . . . 25.0 107.502 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -84.94 -40.56 8.03 Favored Glycine 0 C--O 1.239 0.407 0 C-N-CA 119.608 -1.282 . . . . 25.0 113.561 -176.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.0 -165.17 54.8 Favored Glycine 0 C--O 1.243 0.659 0 N-CA-C 110.45 -1.06 . . . . 25.0 110.45 -176.509 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 89.5 mt -63.35 157.52 22.83 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 122.472 -0.428 . . . . 25.0 110.523 178.671 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 90.51 170.99 43.76 Favored Glycine 0 C--O 1.248 0.993 0 CA-C-N 115.548 -0.751 . . . . 25.0 111.543 -178.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.89 124.6 32.55 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 107.008 -1.478 . . . . 25.0 107.008 178.035 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -121.33 139.78 52.97 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.509 -0.552 . . . . 50.0 109.509 -175.453 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.2 t -116.17 130.13 56.65 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.303 -0.999 . . . . 25.0 108.303 178.198 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -110.8 128.15 55.65 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 106.144 -1.798 . . . . 25.0 106.144 -177.265 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 56.5 ttt-85 -127.75 146.16 50.67 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.442 0.639 . . . . 25.0 112.142 -171.224 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -71.87 148.59 45.99 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.662 -0.866 . . . . 25.0 108.662 170.733 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -98.79 -38.21 9.15 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 106.003 -1.851 . . . . 25.0 106.003 168.377 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 52.7 tp -140.76 158.67 43.63 Favored 'General case' 0 C--O 1.221 -0.43 0 N-CA-C 105.632 -1.988 . . . . 25.0 105.632 175.503 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 40.8 ptt180 -60.7 -23.76 65.13 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 121.456 0.646 . . . . 25.0 111.968 178.377 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -80.6 2.11 26.99 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 122.118 -0.364 . . . . 25.0 111.653 -177.091 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -60.19 -31.67 70.36 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 111.888 0.329 . . . . 25.0 111.888 178.714 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 57.2 p -139.73 91.16 2.45 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.385 0.612 . . . . 25.0 112.042 -177.018 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 36.6 p-80 -148.12 163.71 36.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 122.14 -0.35 . . . . 25.0 110.785 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 10.9 mtm180 -133.55 160.3 37.87 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.081 -0.711 . . . . 25.0 109.081 177.035 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 96.4 p -152.15 166.5 15.16 Favored Pre-proline 0 C--N 1.32 -0.695 0 N-CA-C 106.469 -1.678 . . . . 25.0 106.469 -177.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -70.31 -9.67 26.42 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 115.901 -2.266 . . . . 25.0 112.726 175.342 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 68.3 mt -86.12 -5.83 59.13 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 122.65 0.38 . . . . 25.0 110.812 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 142.77 169.61 12.4 Favored Glycine 0 C--O 1.236 0.278 0 CA-C-O 121.859 0.7 . . . . 25.0 113.021 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.5 t -100.22 143.64 30.17 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.742 -0.466 . . . . 25.0 109.742 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -134.8 19.11 3.52 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 105.775 -1.935 . . . . 25.0 105.775 175.484 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 41.8 t -75.4 157.2 34.53 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.634 -1.166 . . . . 25.0 108.82 -179.121 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -109.07 151.35 26.5 Favored 'General case' 0 CA--C 1.503 -0.858 0 CA-C-O 121.372 0.606 . . . . 50.0 110.377 -179.08 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.5 mp -118.7 135.26 54.58 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 105.842 -1.91 . . . . 25.0 105.842 -179.577 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 41.2 mt -107.98 137.11 41.03 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.726 0 N-CA-C 103.702 -2.703 . . . . 25.0 103.702 172.256 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 60.5 mt -108.26 144.08 36.23 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 115.151 -0.932 . . . . 25.0 109.122 -173.556 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 54.98 47.06 23.0 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 124.478 1.111 . . . . 25.0 109.529 176.379 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -70.79 130.0 40.55 Favored 'General case' 0 C--O 1.241 0.652 0 CA-C-N 114.792 -1.095 . . . . 25.0 113.472 -174.636 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -97.3 99.61 6.5 Favored Pre-proline 0 N--CA 1.469 0.497 0 CA-C-N 115.647 -0.706 . . . . 25.0 110.384 176.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -69.84 -11.24 30.33 Favored 'Trans proline' 0 CA--C 1.534 0.51 0 C-N-CA 116.463 -1.892 . . . . 25.0 113.505 178.222 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.5 t -84.64 -9.08 58.6 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 116.335 -0.393 . . . . 25.0 111.808 178.036 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -139.66 -34.27 0.57 Allowed 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 115.208 1.559 . . . . 25.0 115.208 -172.731 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -95.3 150.95 19.69 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.681 0.623 . . . . 50.0 112.681 -168.608 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 42.3 tptt -133.68 150.7 51.54 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.947 -0.57 . . . . 25.0 110.494 -174.555 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 15.0 mt -126.98 121.73 58.71 Favored 'Isoleucine or valine' 0 C--O 1.242 0.663 0 CA-C-O 121.314 0.578 . . . . 25.0 111.599 -179.223 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.45 119.52 25.23 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.278 -1.378 . . . . 25.0 107.278 176.011 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 31.0 m -132.67 17.71 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 CA-C-O 121.451 0.644 . . . . 25.0 111.876 -176.646 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.9 t -57.23 -36.97 71.56 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 114.194 1.183 . . . . 25.0 114.194 -174.674 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.51 -17.36 64.15 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 115.24 1.57 . . . . 25.0 115.24 -176.047 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 30.1 mt -71.17 -45.6 63.14 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 106.706 -1.59 . . . . 25.0 106.706 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.459 0 CA-C-N 113.484 -1.689 . . . . 25.0 112.262 179.08 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 21.8 m120 . . . . . 0 C--O 1.22 -0.454 0 N-CA-C 110.086 -0.339 . . . . 25.0 110.086 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 79.24 3.58 88.53 Favored Glycine 0 C--O 1.236 0.229 0 N-CA-C 116.439 1.336 . . . . 25.0 116.439 179.026 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.421 ' HA ' ' HB3' ' A' ' 119' ' ' TYR . 58.5 m-85 -137.91 150.48 47.12 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 117.257 0.528 . . . . 25.0 111.341 -177.655 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 53.34 44.95 29.4 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 114.176 1.176 . . . . 25.0 114.176 173.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.06 32.09 21.53 Favored Glycine 0 N--CA 1.454 -0.121 0 C-N-CA 120.418 -0.896 . . . . 25.0 113.461 176.197 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 59.7 p -135.49 146.56 48.27 Favored 'General case' 0 C--O 1.218 -0.565 0 N-CA-C 105.787 -1.931 . . . . 25.0 105.787 177.095 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 61.7 mt -86.34 153.76 21.71 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 116.528 2.047 . . . . 25.0 116.528 -172.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -136.06 159.6 41.2 Favored 'General case' 0 C--O 1.241 0.642 0 N-CA-C 104.164 -2.532 . . . . 25.0 104.164 167.38 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 11.2 p -124.23 153.28 30.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 107.883 -1.154 . . . . 25.0 107.883 -178.55 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 44.7 m -144.53 157.02 44.42 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 107.539 -1.282 . . . . 25.0 107.539 176.601 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 57.5 mt . . . . . 0 C--N 1.324 -0.507 0 N-CA-C 109.437 -0.579 . . . . 25.0 109.437 -178.371 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 89.9 mtt-85 . . . . . 0 CA--C 1.514 -0.435 0 N-CA-C 106.245 -1.761 . . . . 25.0 106.245 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 15.2 m -133.95 148.45 51.17 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.224 -0.658 . . . . 25.0 109.224 -176.583 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -135.32 147.65 49.22 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.526 -0.546 . . . . 25.0 109.526 -178.4 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 68.0 mt -128.29 137.08 51.81 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.307 -0.627 . . . . 25.0 109.307 179.101 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.4 tmtp? -135.41 127.72 30.21 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-O 119.082 -0.485 . . . . 25.0 110.463 -177.326 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 20.4 t -100.56 -28.81 12.68 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 112.912 0.708 . . . . 25.0 112.912 178.187 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' TYR . . . . . 0.421 ' HB3' ' HA ' ' A' ' 99' ' ' TYR . 30.6 t80 . . . . . 0 N--CA 1.474 0.768 0 CA-C-O 122.256 1.027 . . . . 25.0 111.116 -179.476 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 35.7 t . . . . . 0 CA--C 1.513 -0.459 0 N-CA-C 115.007 1.484 . . . . 25.0 115.007 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -82.36 126.53 32.28 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 107.287 -1.375 . . . . 25.0 107.287 173.048 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -145.35 147.97 32.87 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 107.819 -1.178 . . . . 25.0 107.819 -174.398 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 6.9 mt -136.2 163.06 31.25 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 122.691 0.396 . . . . 25.0 110.085 -176.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -144.82 152.71 40.72 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 109.562 -0.533 . . . . 25.0 109.562 177.187 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 78.1 mt -132.81 144.64 50.37 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 106.592 -1.632 . . . . 25.0 106.592 177.218 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -129.06 155.54 45.26 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 107.407 -1.331 . . . . 25.0 107.407 177.565 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 72.21 28.64 67.78 Favored Glycine 0 CA--C 1.509 -0.337 0 N-CA-C 111.456 -0.658 . . . . 25.0 111.456 176.67 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 29.1 m120 -69.59 142.85 53.46 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.499 0.666 . . . . 25.0 111.593 -177.318 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 65.2 m80 -75.64 92.08 2.92 Favored 'General case' 0 C--O 1.214 -0.771 0 N-CA-C 107.135 -1.432 . . . . 25.0 107.135 170.602 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -60.86 -31.27 70.73 Favored 'General case' 0 C--O 1.22 -0.496 0 N-CA-C 109.212 -0.662 . . . . 25.0 109.212 177.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.91 -28.82 69.79 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.216 -0.902 . . . . 25.0 111.875 178.119 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 64.1 p -130.51 30.28 4.72 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 113.138 0.792 . . . . 25.0 113.138 -178.694 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.0 pp -62.68 147.74 48.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.377 0.608 . . . . 25.0 111.42 -175.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 43.9 t -155.47 154.08 31.29 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.399 -0.963 . . . . 25.0 108.399 -177.253 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -94.1 -7.27 42.98 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-O 121.118 0.485 . . . . 25.0 111.164 178.438 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -80.05 14.51 20.4 Favored Glycine 0 CA--C 1.522 0.481 0 N-CA-C 115.89 1.116 . . . . 25.0 115.89 -174.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 57.0 m-20 -68.07 -25.48 65.37 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 113.219 0.822 . . . . 25.0 113.219 -176.385 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 48.5 pt -83.04 158.26 3.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 121.968 -0.457 . . . . 25.0 111.281 -177.01 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 10.4 p -58.7 -33.23 48.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 113.732 1.012 . . . . 25.0 113.732 -177.336 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 . . . . . 0 C--N 1.326 -0.433 0 O-C-N 122.044 -0.41 . . . . 25.0 111.472 -179.293 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 22.1 pt20 . . . . . 0 N--CA 1.477 0.911 0 N-CA-C 111.535 0.198 . . . . 25.0 111.535 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -90.2 162.38 29.63 Favored Glycine 0 N--CA 1.449 -0.483 0 CA-C-O 121.939 0.744 . . . . 25.0 113.849 -174.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.1 t -136.52 -170.51 2.69 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 105.422 -2.066 . . . . 25.0 105.422 178.496 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -70.64 145.87 50.37 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 121.218 -0.926 . . . . 25.0 109.252 177.599 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 101.27 -176.35 26.62 Favored Glycine 0 C--N 1.323 -0.185 0 N-CA-C 109.615 -1.394 . . . . 25.0 109.615 -172.678 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 62.3 m-20 -90.8 131.08 36.67 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 118.318 1.059 . . . . 25.0 110.082 -175.489 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -124.53 154.02 41.22 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.173 0.511 . . . . 50.0 111.421 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 93.5 t -125.54 114.24 38.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 104.554 -2.387 . . . . 25.0 104.554 171.315 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 44.5 mt -122.26 138.43 54.5 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.756 -0.831 . . . . 25.0 108.756 -173.157 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 39.8 mm -128.14 130.86 69.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 107.668 -1.234 . . . . 25.0 107.668 -177.604 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -90.56 175.39 40.6 Favored Glycine 0 C--O 1.229 -0.171 0 CA-C-O 121.774 0.652 . . . . 25.0 113.099 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 91.0 p -122.62 -179.53 4.25 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 123.415 0.686 . . . . 25.0 109.793 -179.32 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -67.15 -27.09 67.01 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 115.421 1.638 . . . . 25.0 115.421 -176.212 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.7 m -76.06 165.97 2.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 C-N-CA 120.916 -0.314 . . . . 25.0 110.388 -179.204 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.1 137.55 28.31 Favored Glycine 0 C--O 1.234 0.122 0 N-CA-C 110.393 -1.083 . . . . 25.0 110.393 176.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -140.64 166.67 24.12 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.427 0.632 . . . . 50.0 111.999 -174.128 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -132.11 116.99 17.74 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 105.016 -2.216 . . . . 25.0 105.016 175.044 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.3 mt -135.56 116.57 19.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.132 0.491 . . . . 25.0 110.646 -173.285 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 98.6 p -107.4 147.46 30.36 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.661 -0.866 . . . . 25.0 108.661 175.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -94.75 -23.26 21.39 Favored Glycine 0 N--CA 1.458 0.148 0 C-N-CA 121.083 -0.58 . . . . 25.0 114.101 -178.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.94 -160.47 54.06 Favored Glycine 0 C--O 1.243 0.7 0 C-N-CA 120.891 -0.671 . . . . 25.0 111.601 -177.4 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.86 173.93 8.48 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 121.921 -0.752 . . . . 25.0 109.449 178.053 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.74 170.95 47.17 Favored Glycine 0 C--O 1.241 0.565 0 CA-C-N 116.582 -0.281 . . . . 25.0 113.512 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -84.55 113.09 20.99 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.54 -0.911 . . . . 25.0 108.54 -178.655 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -118.41 160.68 21.27 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 113.88 1.067 . . . . 50.0 113.88 -174.264 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -123.41 127.45 48.45 Favored 'General case' 0 CA--C 1.51 -0.594 0 N-CA-C 104.105 -2.554 . . . . 25.0 104.105 170.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.3 mp -127.93 146.44 50.64 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 106.795 -1.557 . . . . 25.0 106.795 -178.515 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -140.99 141.06 34.43 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 105.043 -2.206 . . . . 25.0 105.043 175.322 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -103.36 -23.28 8.53 Favored Glycine 0 N--CA 1.447 -0.591 0 N-CA-C 111.899 -0.48 . . . . 25.0 111.899 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 65.84 -158.14 47.64 Favored Glycine 0 C--O 1.24 0.522 0 C-N-CA 120.652 -0.785 . . . . 25.0 111.517 -175.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.69 173.51 8.92 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.968 -0.725 . . . . 25.0 110.049 178.523 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.92 166.64 36.05 Favored Glycine 0 C--O 1.237 0.34 0 CA-C-N 115.892 -0.595 . . . . 25.0 112.045 -178.044 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -81.79 130.15 34.97 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 107.062 -1.459 . . . . 25.0 107.062 -178.556 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -134.19 152.44 51.83 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 113.794 1.035 . . . . 50.0 113.794 -173.458 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.8 mp -112.63 118.3 34.67 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.183 -1.414 . . . . 25.0 107.183 176.321 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.6 mp -125.21 124.87 42.66 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 112.52 0.563 . . . . 25.0 112.52 -175.699 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -116.7 124.82 50.62 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-O 121.095 0.474 . . . . 25.0 110.906 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -78.73 -44.03 10.96 Favored Glycine 0 C--O 1.243 0.698 0 N-CA-C 115.255 0.862 . . . . 25.0 115.255 -177.128 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.63 -171.01 47.87 Favored Glycine 0 C--O 1.245 0.805 0 C-N-CA 121.171 -0.537 . . . . 25.0 112.793 -178.378 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.86 158.51 21.84 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 122.542 -0.387 . . . . 25.0 111.193 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.29 171.86 45.59 Favored Glycine 0 N--CA 1.464 0.514 0 N-CA-C 109.754 -1.338 . . . . 25.0 109.754 -175.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.9 ptp85 -95.67 130.09 42.67 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 107.521 -1.288 . . . . 25.0 107.521 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -130.35 164.22 25.16 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 112.509 0.559 . . . . 50.0 112.509 -168.195 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.8 mpt_? -131.78 126.07 33.49 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 105.262 -2.125 . . . . 25.0 105.262 178.627 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.6 mp -127.36 102.18 6.79 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 123.463 0.477 . . . . 25.0 111.568 -172.03 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 31.7 m -87.99 117.9 27.17 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.813 -0.439 . . . . 25.0 109.813 179.446 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -84.98 -43.13 6.84 Favored Glycine 0 C--O 1.241 0.553 0 C-N-CA 120.123 -1.037 . . . . 25.0 112.083 -178.611 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 69.17 -162.05 51.84 Favored Glycine 0 C--O 1.24 0.514 0 C-N-CA 121.098 -0.572 . . . . 25.0 111.832 -178.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 95.5 mt -64.58 156.85 28.6 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 122.229 -0.571 . . . . 25.0 110.95 179.191 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.17 164.62 32.31 Favored Glycine 0 C--O 1.243 0.703 0 CA-C-N 115.251 -0.886 . . . . 25.0 111.127 -178.711 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.89 110.57 19.51 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 106.409 -1.7 . . . . 25.0 106.409 178.399 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -110.39 148.63 31.62 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.182 -0.463 . . . . 50.0 109.89 -173.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.8 t -124.54 139.53 53.79 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 121.757 0.789 . . . . 25.0 108.934 175.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -121.58 128.02 51.53 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 106.445 -1.687 . . . . 25.0 106.445 -177.355 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 56.8 ttt85 -126.02 145.59 50.24 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.949 0.881 . . . . 25.0 112.64 -171.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -73.65 150.92 41.0 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 114.747 -1.115 . . . . 25.0 109.29 175.66 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -110.85 -40.01 4.66 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 106.42 -1.696 . . . . 25.0 106.42 168.358 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 41.4 tp -142.72 153.88 43.76 Favored 'General case' 0 C--O 1.221 -0.405 0 N-CA-C 108.324 -0.991 . . . . 25.0 108.324 178.094 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 38.2 ptt180 -61.01 -24.96 66.56 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 121.649 0.738 . . . . 25.0 112.783 178.153 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -83.71 1.74 41.16 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.215 0.531 . . . . 25.0 111.355 -175.591 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -67.47 -23.2 65.47 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 122.085 -0.384 . . . . 25.0 110.753 178.005 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.3 m -125.32 42.54 3.26 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 113.473 0.916 . . . . 25.0 113.473 -174.362 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 59.0 t60 -100.44 142.29 32.12 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 113.32 0.859 . . . . 25.0 113.32 -176.348 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 30.1 mtm180 -135.86 155.09 50.84 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 108.105 -1.072 . . . . 25.0 108.105 173.241 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 82.0 p -146.92 168.41 11.47 Favored Pre-proline 0 C--N 1.325 -0.476 0 N-CA-C 105.758 -1.941 . . . . 25.0 105.758 178.716 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_endo -69.82 -11.24 30.36 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 115.449 -2.567 . . . . 25.0 113.462 178.241 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 78.2 mt -85.52 -7.32 58.95 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.6 0.238 . . . . 25.0 111.043 179.145 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 153.53 167.21 15.56 Favored Glycine 0 C--O 1.229 -0.176 0 C-N-CA 120.792 -0.718 . . . . 25.0 113.669 178.697 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.2 t -103.91 144.52 31.41 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.349 -0.611 . . . . 25.0 109.349 178.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -134.08 11.63 3.91 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 106.712 -1.588 . . . . 25.0 106.712 177.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.6 t -92.09 177.36 6.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.736 -1.12 . . . . 25.0 111.104 -175.653 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -116.17 158.26 23.55 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.818 -0.628 . . . . 50.0 112.683 -171.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.9 mp -119.79 135.21 54.95 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 106.794 -1.558 . . . . 25.0 106.794 173.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 53.8 mt -105.41 141.88 19.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 N-CA-C 104.205 -2.517 . . . . 25.0 104.205 174.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -117.89 142.11 47.69 Favored 'General case' 0 C--N 1.314 -0.947 0 N-CA-C 108.326 -0.99 . . . . 25.0 108.326 -175.324 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 56.24 46.45 21.23 Favored 'General case' 0 C--O 1.248 0.98 0 CA-C-O 121.921 0.867 . . . . 25.0 110.368 177.464 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -83.03 128.86 34.86 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.884 -1.053 . . . . 25.0 109.594 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -99.59 103.48 21.58 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-N 115.701 -0.681 . . . . 25.0 109.807 179.699 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -69.95 7.01 1.15 Allowed 'Trans proline' 0 CA--C 1.541 0.838 0 N-CA-C 115.512 1.312 . . . . 25.0 115.512 179.13 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 10.7 t -110.36 -6.2 15.04 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 115.983 -0.553 . . . . 25.0 111.172 177.119 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -141.7 -34.86 0.46 Allowed 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 114.079 1.14 . . . . 25.0 114.079 -174.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -88.6 158.73 18.17 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.01 0.433 . . . . 50.0 111.047 -173.121 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 46.9 tptt -132.94 146.8 52.11 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 116.504 -0.316 . . . . 25.0 111.238 -178.036 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 19.3 mt -123.63 112.14 32.0 Favored 'Isoleucine or valine' 0 C--O 1.243 0.735 0 N-CA-C 109.116 -0.698 . . . . 25.0 109.116 175.612 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -79.62 121.02 24.76 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 106.841 -1.54 . . . . 25.0 106.841 176.145 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 17.0 m -130.37 26.6 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 CA-C-O 121.622 0.725 . . . . 25.0 111.552 -175.385 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.23 -29.58 68.84 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 114.316 1.228 . . . . 25.0 114.316 -175.419 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -74.19 -19.68 60.46 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 113.033 0.753 . . . . 25.0 113.033 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 14.4 mt -84.08 -28.76 27.34 Favored 'General case' 0 C--O 1.216 -0.698 0 N-CA-C 106.232 -1.766 . . . . 25.0 106.232 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.587 0 CA-C-N 113.77 -1.559 . . . . 25.0 116.926 166.702 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.5 t30 . . . . . 0 N--CA 1.492 1.651 0 N-CA-C 107.654 -1.239 . . . . 25.0 107.654 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 105.78 -1.75 38.92 Favored Glycine 0 N--CA 1.46 0.261 0 CA-C-N 116.229 -0.441 . . . . 25.0 114.145 175.776 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -139.71 159.44 42.17 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.316 -0.994 . . . . 25.0 108.316 178.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 58.13 48.73 12.47 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.807 0.843 . . . . 25.0 112.495 -178.685 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 74.2 27.0 66.99 Favored Glycine 0 C--N 1.329 0.192 0 C-N-CA 121.044 -0.598 . . . . 25.0 114.262 174.087 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 44.0 p -126.5 157.21 39.29 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.829 -1.175 . . . . 25.0 107.829 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.8 mt -97.59 161.52 13.73 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 114.887 1.44 . . . . 25.0 114.887 -174.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -147.45 150.87 35.44 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 104.515 -2.402 . . . . 25.0 104.515 171.249 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 7.1 p -135.18 154.84 36.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 110.162 -0.31 . . . . 25.0 110.162 -175.4 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 46.4 m -147.43 160.75 42.21 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.03 -1.1 . . . . 25.0 108.03 177.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 25.5 mt . . . . . 0 C--N 1.324 -0.518 0 N-CA-C 108.486 -0.931 . . . . 25.0 108.486 179.627 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 41.2 mtt85 . . . . . 0 CA--C 1.51 -0.569 0 N-CA-C 108.834 -0.802 . . . . 25.0 108.834 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 7.2 m -126.49 147.58 49.81 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 106.707 -1.59 . . . . 25.0 106.707 178.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -134.37 145.26 48.8 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 107.639 -1.245 . . . . 25.0 107.639 179.422 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.8 mp -133.41 145.96 50.77 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.378 -0.601 . . . . 25.0 109.378 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -138.15 131.78 30.93 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.374 -0.375 . . . . 25.0 110.686 178.046 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 32.4 t -141.61 102.57 4.21 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 107.494 -1.299 . . . . 25.0 107.494 169.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 2.6 t80 . . . . . 0 C--N 1.321 -0.663 0 N-CA-C 105.517 -2.031 . . . . 25.0 105.517 177.128 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.8 p . . . . . 0 C--O 1.243 0.753 0 CA-C-O 120.668 0.271 . . . . 25.0 110.916 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -103.69 107.89 18.94 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 107.18 -1.415 . . . . 25.0 107.18 177.509 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 -129.64 135.08 48.1 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 107.818 -1.178 . . . . 25.0 107.818 -175.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.4 mp -130.72 168.13 17.69 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 122.36 0.264 . . . . 25.0 110.635 -171.604 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -146.11 151.78 38.23 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.109 -1.071 . . . . 25.0 108.109 175.181 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.478 HD13 HD22 ' A' ' 135' ' ' ASN . 39.2 mt -136.67 142.65 43.19 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 107.205 -1.405 . . . . 25.0 107.205 -179.648 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -122.01 148.11 45.23 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.299 -1.0 . . . . 25.0 108.299 178.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 67.11 48.92 57.07 Favored Glycine 0 C--O 1.223 -0.568 0 C-N-CA 120.718 -0.753 . . . . 25.0 113.718 174.322 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' ASN . . . . . 0.478 HD22 HD13 ' A' ' 132' ' ' LEU . 4.5 m-20 -97.16 145.42 26.04 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 122.147 -0.619 . . . . 25.0 109.969 -179.475 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 72.8 m80 -76.95 91.39 3.59 Favored 'General case' 0 C--O 1.216 -0.661 0 N-CA-C 109.042 -0.725 . . . . 25.0 109.042 172.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -62.52 -27.16 68.97 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.856 -0.794 . . . . 25.0 108.856 175.71 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.34 -26.9 68.12 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.545 -0.752 . . . . 25.0 111.472 176.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 73.2 p -126.73 30.02 5.58 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 112.421 0.526 . . . . 25.0 112.421 179.281 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.1 pp -62.34 147.26 48.85 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.455 0.645 . . . . 25.0 111.22 -178.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 40.5 t -155.3 151.06 27.54 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.024 -0.732 . . . . 25.0 109.024 -179.438 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -79.65 -12.51 59.82 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 121.456 0.646 . . . . 25.0 111.085 176.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -71.54 1.45 28.45 Favored Glycine 0 CA--C 1.52 0.403 0 N-CA-C 116.89 1.516 . . . . 25.0 116.89 -173.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -70.32 -20.3 63.01 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 117.846 0.823 . . . . 25.0 112.659 -179.248 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 27.1 pt -76.88 152.22 5.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.134 0.492 . . . . 25.0 111.146 -177.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 7.5 p -64.62 -25.31 37.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 N-CA-C 112.72 0.637 . . . . 25.0 112.72 -177.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 . . . . . 0 C--N 1.323 -0.557 0 O-C-N 122.165 -0.334 . . . . 25.0 111.792 -175.042 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.478 0.926 0 N-CA-C 112.164 0.431 . . . . 25.0 112.164 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -102.89 -178.12 26.73 Favored Glycine 0 N--CA 1.453 -0.193 0 CA-C-N 116.277 -0.419 . . . . 25.0 113.609 -176.744 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.478 HG23 ' H ' ' A' ' 6' ' ' GLY . 6.5 t -107.39 -173.62 2.33 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 106.487 -1.672 . . . . 25.0 106.487 177.303 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -84.7 4.3 33.28 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 120.946 -1.096 . . . . 25.0 112.447 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.478 ' H ' HG23 ' A' ' 4' ' ' THR . . . -86.82 -164.06 39.48 Favored Glycine 0 C--N 1.32 -0.34 0 N-CA-C 108.764 -1.735 . . . . 25.0 108.764 170.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 53.5 m-20 -87.37 136.64 32.86 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 118.431 1.116 . . . . 25.0 108.443 177.47 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -134.3 154.64 51.19 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 121.24 0.543 . . . . 50.0 112.018 -177.582 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 99.3 t -124.5 114.14 39.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 104.989 -2.226 . . . . 25.0 104.989 171.014 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 45.2 mt -121.52 131.0 53.9 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.144 -1.058 . . . . 25.0 108.144 -174.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 83.0 mt -132.62 127.08 55.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 107.528 -1.286 . . . . 25.0 107.528 -179.103 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -91.11 -173.52 43.67 Favored Glycine 0 N--CA 1.452 -0.267 0 CA-C-O 121.629 0.572 . . . . 25.0 113.135 -178.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 83.7 p -123.26 -168.31 1.75 Allowed 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 123.439 0.695 . . . . 25.0 109.491 -178.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -76.21 -16.39 59.85 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 114.877 1.436 . . . . 25.0 114.877 -174.297 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.2 m -81.03 166.62 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 109.083 -0.71 . . . . 25.0 109.083 178.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.99 134.41 18.51 Favored Glycine 0 N--CA 1.454 -0.125 0 N-CA-C 110.458 -1.057 . . . . 25.0 110.458 178.326 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -140.3 161.74 36.96 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 117.311 0.556 . . . . 50.0 112.226 -173.715 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -117.01 121.37 41.16 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 105.49 -2.041 . . . . 25.0 105.49 172.414 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 59.0 mt -126.65 118.69 51.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 108.082 -1.081 . . . . 25.0 108.082 -175.614 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.1 m -117.46 127.11 53.69 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.045 -0.525 . . . . 25.0 109.866 -178.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.1 -30.9 18.79 Favored Glycine 0 CA--C 1.517 0.174 0 C-N-CA 121.03 -0.605 . . . . 25.0 114.445 -176.3 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 74.38 -161.64 53.77 Favored Glycine 0 C--O 1.243 0.674 0 CA-C-N 117.504 0.652 . . . . 25.0 111.744 -178.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.68 178.22 3.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 121.837 -0.802 . . . . 25.0 109.064 177.568 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.52 171.63 41.9 Favored Glycine 0 C--O 1.243 0.674 0 C-N-CA 121.041 -0.6 . . . . 25.0 112.026 -178.21 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -86.79 124.07 32.63 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.079 -1.082 . . . . 25.0 108.079 -178.542 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -130.85 149.9 52.26 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.97 1.1 . . . . 50.0 113.97 -173.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 -108.22 127.64 54.02 Favored 'General case' 0 CA--C 1.506 -0.722 0 N-CA-C 104.875 -2.268 . . . . 25.0 104.875 163.558 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.7 mp -115.74 142.95 46.06 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 103.269 -2.863 . . . . 25.0 103.269 172.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.438 ' HA ' ' HB ' ' A' ' 47' ' ' THR . 13.9 t0 -142.55 132.5 24.35 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 104.878 -2.267 . . . . 25.0 104.878 176.329 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -101.94 -22.8 9.72 Favored Glycine 0 C--N 1.318 -0.452 0 N-CA-C 114.183 0.433 . . . . 25.0 114.183 -172.701 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 64.7 -157.57 45.08 Favored Glycine 0 C--O 1.245 0.831 0 C-N-CA 120.513 -0.851 . . . . 25.0 111.365 -175.02 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.06 175.24 7.63 Favored 'General case' 0 C--O 1.243 0.729 0 O-C-N 121.992 -0.711 . . . . 25.0 110.548 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.26 166.49 34.25 Favored Glycine 0 C--O 1.238 0.347 0 N-CA-C 110.621 -0.992 . . . . 25.0 110.621 -177.464 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -82.64 136.78 34.69 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 107.138 -1.43 . . . . 25.0 107.138 -179.463 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -138.06 153.88 49.31 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 113.649 0.981 . . . . 50.0 113.649 -172.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.4 mp -111.37 126.87 55.38 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 106.533 -1.654 . . . . 25.0 106.533 176.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.1 mp -129.36 109.97 11.53 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 112.788 0.662 . . . . 25.0 112.788 -175.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -95.35 116.48 28.84 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 109.84 -0.43 . . . . 25.0 109.84 178.112 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -70.35 -52.06 19.0 Favored Glycine 0 C--O 1.247 0.917 0 C-N-CA 120.396 -0.906 . . . . 25.0 113.965 -178.292 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.81 174.71 45.23 Favored Glycine 0 C--O 1.237 0.307 0 O-C-N 122.334 -0.51 . . . . 25.0 112.292 -178.487 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.43 156.22 8.21 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 122.034 -0.686 . . . . 25.0 110.305 179.223 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.27 168.82 40.41 Favored Glycine 0 C--O 1.242 0.644 0 N-CA-C 111.026 -0.83 . . . . 25.0 111.026 -176.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.9 ptp85 -88.4 129.6 35.38 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 107.309 -1.367 . . . . 25.0 107.309 -179.228 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -130.12 160.07 34.87 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 112.981 0.734 . . . . 50.0 112.981 -171.566 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? -122.39 112.4 18.04 Favored 'General case' 0 CA--C 1.512 -0.512 0 N-CA-C 106.249 -1.759 . . . . 25.0 106.249 176.304 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.1 mp -110.81 100.29 9.06 Favored 'General case' 0 C--N 1.321 -0.66 0 O-C-N 123.172 0.295 . . . . 25.0 110.212 -174.546 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.438 ' HB ' ' HA ' ' A' ' 29' ' ' ASP . 20.5 m -91.3 114.75 27.36 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.081 -0.711 . . . . 25.0 109.081 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -83.08 -40.97 8.86 Favored Glycine 0 C--O 1.237 0.331 0 C-N-CA 119.798 -1.191 . . . . 25.0 112.759 -177.579 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.47 ' H ' ' HB2' ' A' ' 77' ' ' ASP . . . 72.68 -163.62 54.78 Favored Glycine 0 C--O 1.242 0.642 0 N-CA-C 111.136 -0.786 . . . . 25.0 111.136 -177.427 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 89.2 mt -64.08 156.63 27.67 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 120.958 0.409 . . . . 25.0 110.527 177.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 92.5 168.28 39.87 Favored Glycine 0 C--O 1.247 0.915 0 CA-C-N 115.359 -0.837 . . . . 25.0 111.166 -179.086 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -82.95 123.18 29.18 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 106.854 -1.535 . . . . 25.0 106.854 178.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -120.65 141.41 50.39 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 109.556 -0.535 . . . . 50.0 109.556 -175.432 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.8 t -114.93 122.68 47.03 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 107.847 -1.168 . . . . 25.0 107.847 177.055 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -104.84 129.54 53.14 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 105.982 -1.858 . . . . 25.0 105.982 -177.392 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.6 ttt180 -131.81 148.06 52.53 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 114.405 1.261 . . . . 25.0 114.405 -169.047 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 41.9 p90 -78.07 160.78 27.88 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.043 -0.981 . . . . 25.0 108.697 172.215 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -128.45 -2.11 5.55 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 109.646 -0.502 . . . . 25.0 109.646 166.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 28.6 tp -154.97 163.36 40.42 Favored 'General case' 0 C--O 1.218 -0.59 0 N-CA-C 107.384 -1.339 . . . . 25.0 107.384 -179.143 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 40.5 ptt180 -75.46 -17.65 60.09 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 118.775 0.716 . . . . 25.0 111.505 175.683 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -100.09 13.76 32.99 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 121.859 0.838 . . . . 25.0 110.36 -177.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -57.88 -31.54 66.82 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.299 -0.864 . . . . 25.0 112.348 -178.118 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 29.1 p -138.77 85.08 2.05 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.993 -0.743 . . . . 25.0 108.993 -179.485 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -134.23 150.44 51.03 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 116.343 -0.39 . . . . 25.0 110.197 -172.185 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 77.8 mtt180 -133.11 143.67 49.44 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.585 0.707 . . . . 25.0 110.772 176.107 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 18.9 t -146.2 156.63 50.32 Favored Pre-proline 0 C--N 1.323 -0.585 0 N-CA-C 105.285 -2.116 . . . . 25.0 105.285 -177.393 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -67.19 -14.72 44.14 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 115.731 -2.38 . . . . 25.0 112.79 175.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 84.5 mt -81.59 -3.9 54.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.765 0.317 . . . . 25.0 111.39 177.134 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 152.26 151.11 5.55 Favored Glycine 0 N--CA 1.451 -0.335 0 CA-C-O 121.605 0.559 . . . . 25.0 113.079 179.033 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.1 t -100.12 143.74 29.96 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.692 -0.855 . . . . 25.0 108.692 178.181 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -133.58 19.15 3.91 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 107.49 -1.3 . . . . 25.0 107.49 179.419 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 68.6 p -70.91 154.09 42.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.663 -0.699 . . . . 25.0 110.385 -178.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -105.83 155.42 19.33 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.193 0.52 . . . . 50.0 111.605 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 65.5 tp -121.09 131.34 54.21 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 106.493 -1.669 . . . . 25.0 106.493 175.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 44.5 mt -107.95 146.69 13.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 N-CA-C 104.046 -2.575 . . . . 25.0 104.046 177.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.405 ' HB2' ' HA ' ' A' ' 47' ' ' THR . 2.4 mm? -124.89 148.61 48.2 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 106.754 -1.572 . . . . 25.0 106.754 -176.716 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.47 ' HB2' ' H ' ' A' ' 49' ' ' GLY . 59.2 m-20 57.53 44.19 21.53 Favored 'General case' 0 C--O 1.245 0.838 0 O-C-N 124.172 0.92 . . . . 25.0 110.337 178.329 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -79.77 124.27 28.45 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.881 0.848 . . . . 25.0 110.536 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -105.02 94.23 7.44 Favored Pre-proline 0 C--N 1.318 -0.768 0 CA-C-N 114.749 -1.114 . . . . 25.0 108.687 178.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.413 ' HD2' ' HB2' ' A' ' 136' ' ' HIS . 38.7 Cg_endo -61.41 -16.46 47.42 Favored 'Trans proline' 0 CA--C 1.535 0.559 0 N-CA-C 115.131 1.166 . . . . 25.0 115.131 -179.34 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.7 t -77.56 -10.93 59.77 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 113.143 0.794 . . . . 25.0 113.143 175.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -140.51 -38.2 0.45 Allowed 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 115.037 1.495 . . . . 25.0 115.037 -173.579 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -79.45 159.01 27.19 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.278 0.561 . . . . 50.0 112.003 -172.316 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.404 ' HE3' ' HA ' ' A' ' 146' ' ' VAL . 32.6 tptt -133.46 149.19 51.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.017 -0.538 . . . . 25.0 111.061 -177.31 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 49.4 mt -124.96 118.02 51.87 Favored 'Isoleucine or valine' 0 C--O 1.24 0.605 0 N-CA-C 109.351 -0.611 . . . . 25.0 109.351 176.607 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -87.78 130.95 34.69 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-O 122.11 0.957 . . . . 25.0 108.58 176.158 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.7 m -138.23 20.99 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.944 0 CA-C-N 113.937 -1.483 . . . . 25.0 110.459 -176.558 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.8 t -53.22 -37.4 61.99 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 113.909 1.077 . . . . 25.0 113.909 -174.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -75.86 -6.55 51.32 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 113.834 1.05 . . . . 25.0 113.834 179.06 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 9.9 mt -103.6 -40.22 6.4 Favored 'General case' 0 C--O 1.219 -0.528 0 N-CA-C 107.593 -1.262 . . . . 25.0 107.593 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.303 0 CA-C-N 114.775 -1.102 . . . . 25.0 115.843 175.707 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 33.0 m120 . . . . . 0 N--CA 1.475 0.802 0 N-CA-C 116.645 2.091 . . . . 25.0 116.645 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 82.35 8.72 85.93 Favored Glycine 0 C--N 1.323 -0.148 0 C-N-CA 120.666 -0.778 . . . . 25.0 111.618 -174.322 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -141.36 168.19 20.36 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 106.893 -1.521 . . . . 25.0 106.893 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 53.26 44.38 30.24 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.248 0.619 . . . . 25.0 112.562 177.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 82.79 0.19 89.98 Favored Glycine 0 CA--C 1.517 0.188 0 C-N-CA 120.796 -0.716 . . . . 25.0 114.828 176.701 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 51.8 p -102.31 162.52 12.85 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.658 -0.868 . . . . 25.0 108.658 176.604 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.1 mt -104.45 170.45 7.89 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 107.495 -1.298 . . . . 25.0 107.495 178.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -137.36 140.57 41.51 Favored 'General case' 0 C--N 1.317 -0.807 1 N-CA-C 100.179 -4.008 . . . . 25.0 100.179 167.826 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 12.2 p -125.91 146.04 32.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 N-CA-C 107.765 -1.198 . . . . 25.0 107.765 -176.157 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 65.4 p -147.11 165.89 28.59 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 107.88 -1.156 . . . . 25.0 107.88 -177.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 69.0 mt . . . . . 0 C--N 1.322 -0.628 0 N-CA-C 108.838 -0.801 . . . . 25.0 108.838 -177.074 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 29.9 mtt85 . . . . . 0 CA--C 1.508 -0.638 0 N-CA-C 106.716 -1.587 . . . . 25.0 106.716 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 13.5 m -129.19 141.87 51.03 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.871 -0.789 . . . . 25.0 108.871 -178.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -127.69 134.6 49.59 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 107.941 -1.133 . . . . 25.0 107.941 178.031 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 5.6 mp -123.49 128.43 49.78 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.675 -1.232 . . . . 25.0 107.675 -176.543 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -131.3 133.75 45.68 Favored 'General case' 0 C--O 1.214 -0.79 0 N-CA-C 109.725 -0.472 . . . . 25.0 109.725 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 27.3 t -136.1 164.55 27.76 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 106.081 -1.822 . . . . 25.0 106.081 175.134 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 59.9 t80 . . . . . 0 C--N 1.322 -0.589 0 N-CA-C 107.911 -1.144 . . . . 25.0 107.911 179.429 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 50.1 m . . . . . 0 C--O 1.234 0.259 0 CA-C-O 120.91 0.386 . . . . 25.0 110.057 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -130.43 116.66 18.55 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 105.52 -2.03 . . . . 25.0 105.52 176.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -138.44 146.82 42.57 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.272 0.471 . . . . 25.0 112.272 -165.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 5.1 mp -138.88 165.26 27.52 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 107.684 -1.228 . . . . 25.0 107.684 -179.088 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -144.55 151.69 39.46 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.64 -0.504 . . . . 25.0 109.64 175.073 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 45.4 mt -125.1 128.89 49.16 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 107.327 -1.36 . . . . 25.0 107.327 177.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -112.48 147.34 36.74 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 106.985 -1.487 . . . . 25.0 106.985 174.142 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 77.38 29.32 56.22 Favored Glycine 0 C--O 1.223 -0.591 0 N-CA-C 109.719 -1.352 . . . . 25.0 109.719 -178.218 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -69.07 117.05 10.23 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.061 0.458 . . . . 25.0 111.654 -178.139 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' HIS . . . . . 0.413 ' HB2' ' HD2' ' A' ' 80' ' ' PRO . 76.2 m80 -80.62 78.72 7.34 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.429 0.633 . . . . 25.0 109.716 174.504 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -61.54 -26.59 68.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.778 -0.646 . . . . 25.0 109.649 176.653 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.72 -25.82 67.66 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 115.877 -0.601 . . . . 25.0 110.969 176.638 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 68.0 p -119.69 35.18 4.93 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 111.499 0.185 . . . . 25.0 111.499 178.747 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.8 pp -56.84 154.72 8.84 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 121.626 0.727 . . . . 25.0 112.603 -176.582 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 41.2 t -149.57 150.47 32.3 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.685 -0.688 . . . . 25.0 109.902 -178.432 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -88.66 1.8 54.4 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-O 121.466 0.65 . . . . 25.0 109.608 176.441 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -99.7 10.27 60.72 Favored Glycine 0 C--O 1.221 -0.665 0 N-CA-C 116.012 1.165 . . . . 25.0 116.012 -175.05 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -62.51 -43.0 99.89 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 118.819 1.31 . . . . 25.0 112.159 -176.512 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 58.7 mt -73.31 143.97 13.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 107.385 -1.339 . . . . 25.0 107.385 -177.245 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.404 ' HA ' ' HE3' ' A' ' 84' ' ' LYS . 10.6 p -52.99 -34.55 20.92 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 N-CA-C 113.468 0.914 . . . . 25.0 113.468 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 . . . . . 0 C--N 1.327 -0.394 0 N-CA-C 112.822 0.675 . . . . 25.0 112.822 179.436 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 . . . . . 0 N--CA 1.478 0.956 0 N-CA-C 116.763 2.134 . . . . 25.0 116.763 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.1 167.43 45.55 Favored Glycine 0 C--N 1.323 -0.174 0 N-CA-C 110.753 -0.939 . . . . 25.0 110.753 174.19 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 71.4 p -87.26 -175.22 5.21 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.315 -0.624 . . . . 25.0 109.315 178.38 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -87.47 6.13 35.55 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.953 0.882 . . . . 25.0 111.041 173.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -89.22 -160.32 36.34 Favored Glycine 0 C--N 1.323 -0.193 0 N-CA-C 108.952 -1.659 . . . . 25.0 108.952 173.635 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -94.84 121.83 36.84 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 107.752 -1.203 . . . . 25.0 107.752 177.617 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -124.51 156.99 36.36 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.321 0.582 . . . . 50.0 111.989 -174.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 94.0 t -123.99 114.64 42.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 105.219 -2.141 . . . . 25.0 105.219 170.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.4 mt -113.98 142.32 46.3 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.471 -0.937 . . . . 25.0 108.471 -176.673 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.493 ' HA ' ' HB3' ' A' ' 29' ' ' ASP . 36.7 mm -125.84 136.69 60.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 107.203 -1.406 . . . . 25.0 107.203 -178.045 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -94.09 -179.34 38.59 Favored Glycine 0 C--O 1.23 -0.156 0 C-N-CA 121.077 -0.582 . . . . 25.0 112.751 179.239 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 81.2 p -132.84 179.28 6.26 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.243 -1.021 . . . . 25.0 108.243 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -70.75 -24.53 62.63 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 114.884 1.439 . . . . 25.0 114.884 -174.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.5 m -76.98 165.8 2.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.824 -0.435 . . . . 25.0 109.824 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.6 138.11 26.9 Favored Glycine 0 C--N 1.325 -0.083 0 N-CA-C 110.32 -1.112 . . . . 25.0 110.32 177.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -140.29 163.07 33.75 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 112.862 0.69 . . . . 50.0 112.862 -173.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.2 tm0? -119.84 120.82 37.61 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 104.287 -2.486 . . . . 25.0 104.287 172.284 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 55.9 mt -132.98 105.53 8.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 122.484 1.135 . . . . 25.0 109.998 -177.062 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.5 p -93.06 139.81 30.15 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-N 114.476 -1.238 . . . . 25.0 108.753 176.194 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -97.32 -24.57 12.3 Favored Glycine 0 CA--C 1.517 0.165 0 N-CA-C 114.409 0.524 . . . . 25.0 114.409 -178.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.13 -168.43 52.17 Favored Glycine 0 C--O 1.244 0.761 0 CA-C-N 117.324 0.562 . . . . 25.0 112.749 -178.188 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.96 -179.32 1.84 Allowed 'General case' 0 CA--C 1.538 0.497 0 O-C-N 122.037 -0.684 . . . . 25.0 109.203 176.636 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.74 171.03 41.42 Favored Glycine 0 C--O 1.241 0.575 0 C-N-CA 121.089 -0.577 . . . . 25.0 112.031 -178.502 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -93.09 119.42 32.29 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.001 -1.111 . . . . 25.0 108.001 -178.049 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -127.51 163.27 24.5 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 114.613 1.338 . . . . 50.0 114.613 -170.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 78.1 ttt-85 -116.44 132.62 56.62 Favored 'General case' 0 CA--C 1.51 -0.558 0 N-CA-C 105.535 -2.024 . . . . 25.0 105.535 162.474 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.2 mp -121.08 149.69 42.34 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 104.753 -2.314 . . . . 25.0 104.753 176.381 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.493 ' HB3' ' HA ' ' A' ' 11' ' ' ILE . 8.2 t70 -146.18 139.0 25.57 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 104.945 -2.243 . . . . 25.0 104.945 179.014 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -106.16 -19.24 10.24 Favored Glycine 0 C--O 1.226 -0.398 0 O-C-N 123.503 0.502 . . . . 25.0 113.989 -176.014 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 64.3 -158.48 42.44 Favored Glycine 0 C--O 1.245 0.813 0 N-CA-C 111.43 -0.668 . . . . 25.0 111.43 -175.034 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.23 175.61 7.42 Favored 'General case' 0 C--O 1.242 0.703 0 O-C-N 121.995 -0.709 . . . . 25.0 109.997 178.02 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 78.6 167.96 32.98 Favored Glycine 0 C--O 1.24 0.521 0 N-CA-C 111.558 -0.617 . . . . 25.0 111.558 -178.411 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -81.88 139.53 34.63 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 107.087 -1.449 . . . . 25.0 107.087 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -141.13 153.43 45.38 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 113.712 1.004 . . . . 50.0 113.712 -173.013 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.3 mp -114.82 116.33 28.41 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 107.447 -1.316 . . . . 25.0 107.447 177.451 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.5 mp -122.7 134.25 54.47 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 111.732 0.271 . . . . 25.0 111.732 -176.755 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -115.48 127.06 55.05 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 109.245 -0.65 . . . . 25.0 109.245 177.72 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -76.75 -46.69 10.8 Favored Glycine 0 C--O 1.246 0.892 0 C-N-CA 119.931 -1.128 . . . . 25.0 113.409 -178.342 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.48 -177.88 52.34 Favored Glycine 0 C--O 1.245 0.821 0 N-CA-C 110.103 -1.199 . . . . 25.0 110.103 -175.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.53 162.8 9.79 Favored 'General case' 0 C--O 1.244 0.814 0 N-CA-C 109.779 -0.452 . . . . 25.0 109.779 177.353 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 86.29 170.0 46.5 Favored Glycine 0 C--O 1.238 0.349 0 N-CA-C 110.523 -1.031 . . . . 25.0 110.523 -176.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.8 ptt180 -91.26 136.23 33.24 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 106.605 -1.628 . . . . 25.0 106.605 179.29 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -133.34 157.28 45.9 Favored 'General case' 0 C--N 1.317 -0.825 0 O-C-N 122.16 -0.337 . . . . 50.0 111.567 -172.588 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -118.26 105.18 11.5 Favored 'General case' 0 C--O 1.22 -0.493 0 N-CA-C 106.829 -1.545 . . . . 25.0 106.829 175.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.7 mp -104.37 102.7 12.37 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 122.366 0.267 . . . . 25.0 110.983 -174.252 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.0 m -89.61 113.53 24.99 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.504 -0.554 . . . . 25.0 109.504 -179.433 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -83.73 -43.1 7.42 Favored Glycine 0 C--O 1.246 0.847 0 C-N-CA 120.058 -1.068 . . . . 25.0 113.123 -176.676 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.43 -161.39 53.52 Favored Glycine 0 C--O 1.241 0.565 0 C-N-CA 121.045 -0.597 . . . . 25.0 111.611 -178.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 86.7 mt -63.52 155.45 29.34 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.107 0.48 . . . . 25.0 111.101 179.015 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 92.44 166.55 39.19 Favored Glycine 0 C--O 1.244 0.769 0 CA-C-N 115.186 -0.915 . . . . 25.0 111.266 -179.064 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -84.27 118.15 24.0 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 107.053 -1.462 . . . . 25.0 107.053 178.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -116.37 139.7 50.13 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.48 -0.563 . . . . 50.0 109.48 -174.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.9 t -113.58 135.04 54.34 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.419 -0.956 . . . . 25.0 108.419 175.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -117.04 114.41 23.73 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 106.598 -1.63 . . . . 25.0 106.598 -177.375 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 43.3 ttt-85 -114.07 148.76 36.56 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.512 0.672 . . . . 25.0 112.173 -172.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 30.9 p90 -74.35 157.3 35.97 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.167 -1.049 . . . . 25.0 108.167 171.59 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -111.07 -42.42 3.96 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 107.264 -1.384 . . . . 25.0 107.264 169.299 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.3 mp -133.58 172.0 13.34 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 107.499 -1.297 . . . . 25.0 107.499 176.186 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 41.5 ptt180 -65.78 -15.3 62.74 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-O 121.587 0.708 . . . . 25.0 110.958 173.291 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -80.57 -0.98 40.14 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.37 -0.832 . . . . 25.0 111.987 -178.481 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.41 -31.91 72.67 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 113.144 0.794 . . . . 25.0 113.144 -176.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.1 m -150.54 98.28 2.62 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.566 0.698 . . . . 25.0 109.652 177.593 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -140.2 148.66 41.89 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.301 -1.0 . . . . 25.0 108.301 -174.083 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -136.03 142.19 44.41 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.263 -0.643 . . . . 25.0 109.263 175.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 87.7 p -150.72 168.41 11.07 Favored Pre-proline 0 C--N 1.322 -0.599 0 N-CA-C 104.701 -2.333 . . . . 25.0 104.701 178.192 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -70.44 -7.68 21.83 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 115.446 -2.569 . . . . 25.0 113.262 177.397 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 78.9 mt -90.36 -7.75 52.48 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.872 0.323 . . . . 25.0 111.872 179.491 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 164.88 157.63 9.8 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.365 -0.921 . . . . 25.0 114.464 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.8 t -115.93 124.81 51.5 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.813 0.816 . . . . 25.0 109.438 178.538 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -122.68 14.21 10.11 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.316 -0.994 . . . . 25.0 108.316 -176.381 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 55.0 p -67.36 139.83 57.21 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 115.193 -0.912 . . . . 25.0 110.718 -178.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -90.47 154.55 19.56 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.573 0.701 . . . . 50.0 112.517 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.28 130.84 55.62 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 106.156 -1.794 . . . . 25.0 106.156 176.432 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 38.7 mt -107.99 144.94 15.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 N-CA-C 104.358 -2.46 . . . . 25.0 104.358 176.425 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -122.9 144.1 49.44 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 108.456 -0.942 . . . . 25.0 108.456 -175.717 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 57.06 50.47 11.97 Favored 'General case' 0 C--O 1.242 0.707 0 O-C-N 124.387 1.054 . . . . 25.0 109.441 178.312 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -85.96 131.44 34.28 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.462 -1.245 . . . . 25.0 112.04 -176.187 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -104.58 96.6 10.58 Favored Pre-proline 0 C--N 1.324 -0.515 0 N-CA-C 108.894 -0.78 . . . . 25.0 108.894 178.172 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -64.17 -15.36 49.0 Favored 'Trans proline' 0 CA--C 1.533 0.467 0 N-CA-C 116.771 1.796 . . . . 25.0 116.771 -175.138 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 18.3 m -98.09 2.13 48.35 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 113.499 0.925 . . . . 25.0 113.499 175.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -135.6 -37.41 0.76 Allowed 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 113.744 1.016 . . . . 25.0 113.744 -177.41 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -80.9 172.8 13.29 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 110.122 -0.325 . . . . 50.0 110.122 -176.334 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 38.1 tptt -139.25 142.58 37.8 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 122.518 0.327 . . . . 25.0 110.77 -176.68 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 46.4 mt -125.73 115.41 43.06 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 N-CA-C 109.074 -0.713 . . . . 25.0 109.074 176.49 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.403 ' HA ' ' HB ' ' A' ' 146' ' ' VAL . 79.1 m-20 -97.5 111.12 23.52 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.27 0.557 . . . . 25.0 110.232 179.517 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 24.4 m -116.54 26.9 3.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 CA-C-O 122.11 0.957 . . . . 25.0 110.224 -179.126 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.38 19.91 0.06 Allowed 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 115.548 1.685 . . . . 25.0 115.548 -177.471 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.9 -34.9 79.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.352 0.596 . . . . 25.0 110.009 178.097 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 16.3 mt -127.61 -44.33 1.53 Allowed 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 106.775 -1.565 . . . . 25.0 106.775 177.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.299 0 N-CA-C 108.369 -1.892 . . . . 25.0 108.369 -175.591 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 8.7 m120 . . . . . 0 N--CA 1.47 0.541 0 N-CA-C 115.047 1.499 . . . . 25.0 115.047 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 78.57 4.19 87.31 Favored Glycine 0 CA--C 1.519 0.34 0 N-CA-C 116.338 1.295 . . . . 25.0 116.338 177.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -141.48 167.43 22.18 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.553 -0.906 . . . . 25.0 108.553 -178.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 53.77 46.41 25.89 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 121.21 0.529 . . . . 25.0 112.349 178.676 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 74.78 26.87 66.07 Favored Glycine 0 C--O 1.229 -0.197 0 C-N-CA 120.523 -0.846 . . . . 25.0 114.115 176.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 47.0 p -124.81 160.49 28.61 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.173 -0.677 . . . . 25.0 109.173 176.574 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.7 mt -98.56 171.87 7.86 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.403 -0.962 . . . . 25.0 108.403 179.27 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -157.45 162.11 38.94 Favored 'General case' 0 C--O 1.24 0.567 0 N-CA-C 104.278 -2.489 . . . . 25.0 104.278 173.029 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 8.9 p -134.23 153.56 36.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 109.539 -0.541 . . . . 25.0 109.539 -179.017 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 50.9 m -144.35 159.08 43.32 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 106.76 -1.57 . . . . 25.0 106.76 177.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 48.0 mt . . . . . 0 C--N 1.323 -0.567 0 CA-C-O 121.124 0.488 . . . . 25.0 110.785 -177.07 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 83.4 mtm180 . . . . . 0 C--O 1.239 0.508 0 N-CA-C 107.211 -1.403 . . . . 25.0 107.211 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 16.0 m -133.54 152.42 51.9 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.566 -0.902 . . . . 25.0 108.566 -175.117 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -134.32 143.68 47.85 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 106.701 -1.592 . . . . 25.0 106.701 179.441 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.7 mp -124.52 139.48 53.84 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 106.13 -1.804 . . . . 25.0 106.13 -178.208 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.55 136.49 39.34 Favored 'General case' 0 C--O 1.218 -0.587 0 N-CA-C 112.105 0.409 . . . . 25.0 112.105 -175.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 30.1 t -148.28 160.89 42.51 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 107.897 -1.149 . . . . 25.0 107.897 175.428 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 4.7 t80 . . . . . 0 C--N 1.325 -0.473 0 N-CA-C 109.663 -0.495 . . . . 25.0 109.663 179.076 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.237 0.437 0 CA-C-O 120.748 0.309 . . . . 25.0 110.86 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -127.76 104.84 8.06 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 105.812 -1.921 . . . . 25.0 105.812 177.711 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 74.5 mt-10 -134.86 150.28 50.44 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.884 -0.413 . . . . 25.0 109.884 -168.143 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.7 mp -138.31 172.01 13.54 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 109.186 -0.672 . . . . 25.0 109.186 -176.636 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -144.54 156.81 44.33 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 120.668 0.27 . . . . 25.0 110.389 174.437 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 33.9 mt -130.37 130.78 44.82 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 106.566 -1.642 . . . . 25.0 106.566 176.479 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -118.73 146.15 44.98 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 105.618 -1.993 . . . . 25.0 105.618 174.683 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 74.73 37.1 46.16 Favored Glycine 0 C--O 1.226 -0.344 0 N-CA-C 108.943 -1.663 . . . . 25.0 108.943 -176.05 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -82.77 123.76 29.63 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.244 -0.478 . . . . 25.0 110.905 -178.708 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 73.9 m80 -80.39 75.86 7.21 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.248 0.547 . . . . 25.0 110.197 175.415 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -61.72 -26.67 68.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.861 -0.609 . . . . 25.0 110.528 177.338 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.53 -23.54 66.0 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 116.252 -0.431 . . . . 25.0 110.474 175.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 70.3 p -116.55 27.23 9.32 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 112.086 0.402 . . . . 25.0 112.086 177.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.1 pp -59.5 142.19 53.08 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 122.096 0.95 . . . . 25.0 112.284 -174.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 31.2 t -156.12 154.3 30.69 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 104.78 -2.304 . . . . 25.0 104.78 178.688 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -95.05 -1.4 52.3 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.722 0.296 . . . . 25.0 110.841 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -63.6 -18.4 61.36 Favored Glycine 0 CA--C 1.521 0.435 0 N-CA-C 115.451 0.94 . . . . 25.0 115.451 -176.027 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 17.2 p30 -71.03 -13.5 62.01 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 114.351 1.241 . . . . 25.0 114.351 -178.505 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 10.8 pt -78.92 144.27 11.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 121.531 -0.73 . . . . 25.0 110.212 -179.045 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.403 ' HB ' ' HA ' ' A' ' 86' ' ' ASP . 8.2 p -60.73 -25.91 36.63 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 N-CA-C 112.399 0.518 . . . . 25.0 112.399 -179.14 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 . . . . . 0 C--N 1.322 -0.613 0 N-CA-C 113.328 0.862 . . . . 25.0 113.328 -177.472 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 . . . . . 0 N--CA 1.485 1.321 0 N-CA-C 117.508 2.41 . . . . 25.0 117.508 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -71.92 147.24 41.16 Favored Glycine 0 C--O 1.227 -0.299 0 C-N-CA 120.035 -1.079 . . . . 25.0 111.802 176.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 68.9 p -86.93 -174.99 5.2 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 107.842 -1.17 . . . . 25.0 107.842 177.024 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -87.22 5.08 39.9 Favored 'General case' 0 C--N 1.321 -0.659 0 O-C-N 121.16 -0.963 . . . . 25.0 111.449 173.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -89.01 -160.47 36.49 Favored Glycine 0 N--CA 1.459 0.211 0 N-CA-C 108.403 -1.879 . . . . 25.0 108.403 172.281 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -93.01 128.21 38.8 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.945 -1.131 . . . . 25.0 107.945 177.27 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -127.62 155.66 43.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.223 0.535 . . . . 50.0 111.919 -176.138 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 88.0 t -120.48 117.41 53.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 105.167 -2.16 . . . . 25.0 105.167 171.043 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 70.9 mt -121.66 131.82 54.31 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.33 -0.989 . . . . 25.0 108.33 -175.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 73.8 mt -132.04 128.39 59.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 107.157 -1.423 . . . . 25.0 107.157 -178.595 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -92.58 163.01 27.07 Favored Glycine 0 N--CA 1.45 -0.387 0 CA-C-O 121.901 0.723 . . . . 25.0 113.334 -179.237 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 94.1 p -94.19 -177.56 4.33 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 123.834 0.854 . . . . 25.0 109.385 179.217 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -72.94 -15.25 61.57 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 115.897 1.814 . . . . 25.0 115.897 -176.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.6 m -83.28 166.57 2.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 109.189 -0.671 . . . . 25.0 109.189 177.543 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.33 137.94 28.48 Favored Glycine 0 CA--C 1.518 0.263 0 C-N-CA 120.526 -0.845 . . . . 25.0 111.09 178.308 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -144.67 165.4 28.14 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 117.493 0.646 . . . . 75.0 112.319 -173.766 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -119.74 115.94 24.92 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 106.37 -1.715 . . . . 25.0 106.37 173.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 37.8 mm -118.43 124.57 73.33 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 N-CA-C 109.56 -0.533 . . . . 25.0 109.56 -174.193 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.7 m -124.06 134.24 53.45 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 110.115 -0.328 . . . . 25.0 110.115 178.378 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -96.14 -21.8 21.77 Favored Glycine 0 CA--C 1.521 0.407 0 N-CA-C 116.838 1.495 . . . . 25.0 116.838 -174.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.71 -165.09 54.7 Favored Glycine 0 CA--C 1.525 0.709 0 CA-C-N 118.059 0.93 . . . . 25.0 112.589 -178.069 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.38 -179.87 2.65 Favored 'General case' 0 CA--C 1.535 0.396 0 O-C-N 121.766 -0.844 . . . . 25.0 109.36 177.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.51 170.86 40.62 Favored Glycine 0 C--O 1.243 0.675 0 C-N-CA 121.067 -0.587 . . . . 25.0 112.514 -178.155 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -91.38 117.39 29.63 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 108.538 -0.912 . . . . 25.0 108.538 -178.088 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -125.4 169.74 12.06 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 114.024 1.12 . . . . 50.0 114.024 -171.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 52.1 ttt180 -124.53 130.06 51.76 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 107.87 -1.159 . . . . 25.0 107.87 166.274 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.9 mp -125.45 105.11 8.82 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.295 -0.631 . . . . 25.0 109.295 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -103.4 135.84 44.26 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 106.255 -1.758 . . . . 25.0 106.255 175.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -98.22 -25.53 10.21 Favored Glycine 0 CA--C 1.52 0.397 0 N-CA-C 114.644 0.618 . . . . 25.0 114.644 -176.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 71.6 -159.58 53.85 Favored Glycine 0 C--O 1.243 0.697 0 N-CA-C 111.437 -0.665 . . . . 25.0 111.437 -177.462 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.86 175.98 6.79 Favored 'General case' 0 C--O 1.245 0.819 0 O-C-N 121.969 -0.724 . . . . 25.0 109.718 178.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.84 166.35 35.33 Favored Glycine 0 N--CA 1.452 -0.263 0 N-CA-C 110.271 -1.132 . . . . 25.0 110.271 -177.619 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -83.31 129.58 35.01 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 107.078 -1.453 . . . . 25.0 107.078 -179.141 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -131.41 149.99 52.32 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 113.634 0.976 . . . . 50.0 113.634 -171.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.2 mp -108.66 128.43 54.85 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 106.13 -1.804 . . . . 25.0 106.13 174.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 mp -128.82 117.73 21.56 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 112.157 0.428 . . . . 25.0 112.157 -176.422 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -115.31 105.9 13.4 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 121.212 0.53 . . . . 25.0 109.759 179.24 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -64.51 -40.01 97.31 Favored Glycine 0 C--O 1.249 1.058 0 N-CA-C 114.895 0.718 . . . . 25.0 114.895 -176.343 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.65 179.69 53.0 Favored Glycine 0 CA--C 1.517 0.21 0 N-CA-C 110.62 -0.992 . . . . 25.0 110.62 -177.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.43 157.62 10.9 Favored 'General case' 0 CA--C 1.545 0.75 0 O-C-N 121.905 -0.762 . . . . 25.0 110.538 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.96 166.85 41.8 Favored Glycine 0 C--O 1.243 0.687 0 N-CA-C 110.303 -1.119 . . . . 25.0 110.303 -176.192 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 -88.54 133.28 34.2 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 107.174 -1.417 . . . . 25.0 107.174 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -128.05 160.8 30.84 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-O 120.971 0.415 . . . . 50.0 110.539 -173.24 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -122.94 124.18 42.61 Favored 'General case' 0 CA--C 1.509 -0.61 0 N-CA-C 104.466 -2.42 . . . . 25.0 104.466 -178.113 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.3 mp -128.11 142.28 51.24 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 118.372 0.533 . . . . 25.0 111.649 -172.669 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.6 m -129.77 107.78 9.67 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.334 -0.617 . . . . 25.0 109.334 179.001 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -75.35 -39.57 35.73 Favored Glycine 0 C--O 1.241 0.55 0 C-N-CA 120.074 -1.06 . . . . 25.0 114.549 -175.387 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.03 -162.68 54.11 Favored Glycine 0 C--O 1.236 0.276 0 C-N-CA 121.123 -0.56 . . . . 25.0 112.448 -178.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.5 mt -64.92 160.4 20.68 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-O 120.897 0.379 . . . . 25.0 110.739 178.137 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 91.46 167.03 40.56 Favored Glycine 0 C--O 1.246 0.857 0 N-CA-C 110.275 -1.13 . . . . 25.0 110.275 -177.776 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.31 124.8 30.97 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 106.062 -1.829 . . . . 25.0 106.062 177.272 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -124.16 142.83 50.89 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.79 -0.448 . . . . 50.0 109.79 -175.264 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.8 t -120.92 135.78 55.11 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.868 0.842 . . . . 25.0 108.997 175.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -113.32 117.31 31.47 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 105.257 -2.127 . . . . 25.0 105.257 -178.234 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 52.6 ttt85 -123.9 144.83 49.53 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.019 0.914 . . . . 25.0 112.399 -171.622 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 29.3 p90 -72.84 137.21 45.57 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.486 -1.234 . . . . 25.0 109.503 175.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -98.16 -25.53 14.87 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 108.905 -0.776 . . . . 25.0 108.905 172.626 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.1 mp -137.48 164.33 28.95 Favored 'General case' 0 C--O 1.214 -0.777 0 N-CA-C 107.398 -1.334 . . . . 25.0 107.398 178.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 37.6 ptt180 -71.57 -14.9 62.23 Favored 'General case' 0 C--O 1.216 -0.694 0 CA-C-O 121.305 0.574 . . . . 25.0 110.913 173.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -103.6 12.04 35.41 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.678 -0.692 . . . . 25.0 109.868 -178.23 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -60.07 -35.1 74.43 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 116.132 -0.485 . . . . 25.0 110.744 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 39.8 m -139.39 109.79 6.57 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.781 -1.192 . . . . 25.0 107.781 175.308 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -153.69 153.45 32.28 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.693 -1.225 . . . . 25.0 107.693 -170.426 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -138.1 144.19 40.75 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 109.349 -0.611 . . . . 25.0 109.349 176.155 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 86.4 p -154.21 170.14 8.92 Favored Pre-proline 0 C--N 1.323 -0.559 0 N-CA-C 106.287 -1.746 . . . . 25.0 106.287 -178.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -69.48 -8.5 23.77 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 115.382 -2.612 . . . . 25.0 113.642 176.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 75.2 mt -79.4 -11.88 59.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.136 0.493 . . . . 25.0 110.737 177.638 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 145.16 174.88 17.82 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 121.119 -0.563 . . . . 25.0 113.006 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.0 t -108.14 141.22 40.19 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.592 0.71 . . . . 25.0 109.44 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -130.18 10.35 5.35 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 107.137 -1.431 . . . . 25.0 107.137 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 79.5 p -70.59 140.91 51.8 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-N 115.653 -0.703 . . . . 25.0 110.235 -177.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -88.91 152.1 21.93 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.272 0.558 . . . . 50.0 111.442 179.266 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.3 mp -121.92 128.32 51.42 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.77 -1.196 . . . . 25.0 107.77 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 12.1 mt -104.23 137.33 33.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 N-CA-C 105.409 -2.071 . . . . 25.0 105.409 175.26 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -89.63 -34.45 16.3 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.331 -0.85 . . . . 25.0 111.541 -173.155 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -139.11 119.64 13.97 Favored 'General case' 0 C--O 1.241 0.642 0 N-CA-C 107.276 -1.379 . . . . 25.0 107.276 -178.022 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -139.23 127.7 22.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.918 0.39 . . . . 25.0 110.047 -178.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -98.29 105.8 31.35 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.585 -0.734 . . . . 25.0 109.571 -179.268 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -69.54 -7.67 21.59 Favored 'Trans proline' 0 C--O 1.217 -0.544 0 C-N-CA 117.458 -1.228 . . . . 25.0 113.727 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 43.9 t -90.19 -10.84 42.95 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.211 0.448 . . . . 25.0 112.211 176.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 82.4 mm-40 -138.54 -28.21 0.83 Allowed 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 114.686 1.365 . . . . 25.0 114.686 -171.132 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -100.85 158.52 15.91 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.579 0.585 . . . . 50.0 112.579 -168.736 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 41.3 tptt -132.03 148.91 52.53 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.008 -0.542 . . . . 25.0 111.74 -174.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 45.8 mt -124.0 115.95 46.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 N-CA-C 109.676 -0.49 . . . . 25.0 109.676 176.765 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -94.62 116.51 28.85 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.655 -0.498 . . . . 25.0 109.655 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 22.2 m -124.3 28.09 2.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 CA-C-O 122.045 0.926 . . . . 25.0 109.591 -178.632 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.08 21.56 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 115.013 1.486 . . . . 25.0 115.013 -176.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.08 -40.43 90.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.556 0.693 . . . . 25.0 110.816 -178.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 18.3 mt -131.06 -42.43 1.09 Allowed 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 105.5 -2.037 . . . . 25.0 105.5 177.293 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.619 0 N-CA-C 108.483 -1.847 . . . . 25.0 108.483 -178.008 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 16.1 m120 . . . . . 0 N--CA 1.48 1.054 0 N-CA-C 116.039 1.866 . . . . 25.0 116.039 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 77.95 4.71 86.2 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 115.621 1.008 . . . . 25.0 115.621 178.07 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -139.96 167.75 21.4 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 107.202 -1.407 . . . . 25.0 107.202 -179.161 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 54.02 44.53 29.18 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 121.514 0.673 . . . . 25.0 112.248 177.766 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 76.56 19.23 78.27 Favored Glycine 0 N--CA 1.452 -0.263 0 N-CA-C 114.653 0.621 . . . . 25.0 114.653 176.646 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 53.1 p -116.72 158.03 24.5 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 118.072 0.936 . . . . 25.0 110.223 178.299 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.3 mt -92.5 172.56 8.3 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.306 -0.998 . . . . 25.0 108.306 177.777 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -159.37 160.03 34.5 Favored 'General case' 0 C--O 1.244 0.769 0 N-CA-C 103.668 -2.716 . . . . 25.0 103.668 173.108 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 5.4 p -141.43 155.49 20.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.152 0.501 . . . . 25.0 111.466 -177.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 22.2 p -138.84 144.6 39.32 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 100.763 -3.791 . . . . 25.0 100.763 172.349 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 N--CA 1.477 0.907 0 N-CA-C 118.033 2.605 . . . . 25.0 118.033 -166.104 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 83.5 mtt-85 . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 106.626 -1.62 . . . . 25.0 106.626 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.419 ' HB ' ' HB2' ' A' ' 132' ' ' LEU . 88.5 m -103.91 132.95 49.67 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 107.031 -1.47 . . . . 25.0 107.031 -176.339 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -123.66 134.31 53.77 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.526 -0.916 . . . . 25.0 108.526 178.587 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.5 mp -110.76 126.99 55.17 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 104.729 -2.322 . . . . 25.0 104.729 178.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -130.49 132.92 45.89 Favored 'General case' 0 C--O 1.217 -0.622 0 CA-C-N 117.761 0.255 . . . . 25.0 111.342 -176.42 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 32.7 t -141.52 155.24 45.82 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.334 -0.987 . . . . 25.0 108.334 175.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 78.8 t80 . . . . . 0 C--N 1.321 -0.642 0 N-CA-C 108.144 -1.058 . . . . 25.0 108.144 176.018 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 46.3 m . . . . . 0 C--O 1.236 0.346 0 CA-C-O 121.15 0.5 . . . . 25.0 110.239 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -125.75 119.17 27.23 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 105.965 -1.865 . . . . 25.0 105.965 178.54 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -141.08 152.33 44.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.872 -0.604 . . . . 25.0 109.774 -167.251 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.0 mp -140.58 166.89 23.5 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 108.364 -0.976 . . . . 25.0 108.364 -179.423 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -139.3 149.49 44.3 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.944 0.402 . . . . 25.0 111.54 176.405 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.419 ' HB2' ' HB ' ' A' ' 114' ' ' THR . 35.6 mt -131.04 112.94 13.35 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.429 -1.323 . . . . 25.0 107.429 175.388 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -92.02 157.48 16.76 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 104.267 -2.494 . . . . 25.0 104.267 177.212 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 59.39 18.0 41.67 Favored Glycine 0 C--O 1.22 -0.741 0 CA-C-O 121.811 0.673 . . . . 25.0 113.782 178.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -67.09 133.6 50.18 Favored 'General case' 0 N--CA 1.444 -0.733 0 O-C-N 122.353 -0.498 . . . . 25.0 111.765 -174.307 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -73.19 72.8 1.24 Allowed 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 123.161 0.584 . . . . 25.0 111.083 176.267 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -65.61 -25.14 67.25 Favored 'General case' 0 C--O 1.219 -0.503 0 N-CA-C 109.728 -0.471 . . . . 25.0 109.728 177.578 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.78 -25.84 67.72 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.247 -0.433 . . . . 25.0 111.676 177.031 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 42.9 p -127.26 36.61 4.39 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 109.823 -0.436 . . . . 25.0 109.823 178.729 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.8 pp -58.91 159.69 6.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.902 0.858 . . . . 25.0 112.195 -177.229 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 41.3 t -148.19 144.59 27.83 Favored 'General case' 0 CA--C 1.508 -0.659 0 N-CA-C 107.106 -1.442 . . . . 25.0 107.106 173.408 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -84.12 -15.86 45.73 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.308 0.575 . . . . 25.0 109.481 178.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -84.06 10.19 61.35 Favored Glycine 0 CA--C 1.52 0.39 0 N-CA-C 116.187 1.235 . . . . 25.0 116.187 -175.621 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -67.01 -22.6 65.89 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 118.406 1.103 . . . . 25.0 112.29 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 1.3 pp -79.11 159.19 4.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.394 0.616 . . . . 25.0 111.164 179.43 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 7.0 p -56.86 -25.14 21.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 N-CA-C 114.366 1.247 . . . . 25.0 114.366 -178.125 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 . . . . . 0 C--N 1.327 -0.384 0 O-C-N 121.81 -0.556 . . . . 25.0 111.972 -177.87 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.477 0.906 0 CA-C-O 121.017 0.437 . . . . 25.0 111.223 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -95.71 165.68 24.71 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 121.069 -0.586 . . . . 25.0 113.09 -177.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.459 HG23 ' H ' ' A' ' 6' ' ' GLY . 5.8 t -98.46 -175.03 2.98 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 104.628 -2.36 . . . . 25.0 104.628 173.634 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -84.89 2.63 41.78 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 121.075 -1.015 . . . . 25.0 112.492 -178.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.459 ' H ' HG23 ' A' ' 4' ' ' THR . . . -84.8 -172.19 48.89 Favored Glycine 0 CA--C 1.52 0.383 0 N-CA-C 108.97 -1.652 . . . . 25.0 108.97 170.169 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 38.7 m-20 -83.6 131.24 34.98 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 118.327 1.064 . . . . 25.0 108.407 178.128 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -127.72 158.72 36.87 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-O 120.985 0.421 . . . . 50.0 112.056 -177.209 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 84.8 t -123.93 115.93 46.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 104.787 -2.301 . . . . 25.0 104.787 168.296 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 66.7 mt -118.38 135.87 54.08 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.274 -1.009 . . . . 25.0 108.274 -176.77 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 71.1 mt -133.32 129.46 56.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 N-CA-C 108.275 -1.009 . . . . 25.0 108.275 -177.699 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -92.22 170.49 32.96 Favored Glycine 0 C--O 1.228 -0.265 0 CA-C-O 121.617 0.565 . . . . 25.0 114.175 -178.678 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.9 t -99.03 -175.46 3.04 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 123.468 0.707 . . . . 25.0 109.692 178.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -69.77 -25.91 64.03 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 113.22 0.822 . . . . 25.0 113.22 -177.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 32.9 m -72.6 163.9 3.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 110.103 -0.332 . . . . 25.0 110.103 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.49 136.75 22.59 Favored Glycine 0 CA--C 1.516 0.121 0 N-CA-C 110.555 -1.018 . . . . 25.0 110.555 177.314 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -141.16 164.88 29.07 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.405 0.622 . . . . 50.0 112.644 -173.571 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -121.49 118.22 28.79 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 105.663 -1.977 . . . . 25.0 105.663 173.102 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 57.0 mt -127.1 123.91 63.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 109.832 -0.433 . . . . 25.0 109.832 -172.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 62.8 p -118.4 135.82 54.12 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.005 0.431 . . . . 25.0 110.215 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -91.37 -24.74 25.63 Favored Glycine 0 CA--C 1.517 0.186 0 N-CA-C 115.369 0.908 . . . . 25.0 115.369 -176.191 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 73.94 -162.73 54.45 Favored Glycine 0 C--O 1.244 0.725 0 CA-C-N 117.729 0.764 . . . . 25.0 111.411 -176.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.4 179.35 3.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 117.857 0.828 . . . . 25.0 109.53 177.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.5 165.66 37.11 Favored Glycine 0 C--O 1.238 0.381 0 N-CA-C 112.042 -0.423 . . . . 25.0 112.042 -178.648 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -87.02 112.18 21.6 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 107.196 -1.409 . . . . 25.0 107.196 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -118.3 166.53 12.51 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 113.682 0.993 . . . . 50.0 113.682 -171.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.5 ttm180 -123.66 128.71 50.05 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 104.813 -2.292 . . . . 25.0 104.813 168.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.0 mp -121.79 140.84 51.85 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 104.922 -2.251 . . . . 25.0 104.922 177.344 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.449 ' HA ' ' HB ' ' A' ' 47' ' ' THR . 59.5 t0 -134.14 133.73 41.36 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 104.46 -2.422 . . . . 25.0 104.46 174.078 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -95.73 -21.04 24.86 Favored Glycine 0 N--CA 1.447 -0.581 0 N-CA-C 111.625 -0.59 . . . . 25.0 111.625 -178.762 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 66.81 -156.36 51.61 Favored Glycine 0 C--O 1.243 0.694 0 N-CA-C 111.038 -0.825 . . . . 25.0 111.038 -175.621 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.17 173.61 9.18 Favored 'General case' 0 C--O 1.243 0.757 0 O-C-N 122.037 -0.684 . . . . 25.0 110.049 178.19 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 81.74 167.23 38.7 Favored Glycine 0 CA--C 1.51 -0.258 0 CA-C-N 115.844 -0.617 . . . . 25.0 111.712 -178.562 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -85.25 128.16 34.58 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 107.201 -1.407 . . . . 25.0 107.201 -178.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -132.58 153.32 51.12 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 114.026 1.121 . . . . 50.0 114.026 -171.407 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.2 mp -111.59 122.19 47.16 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 106.868 -1.53 . . . . 25.0 106.868 175.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.3 mp -124.08 124.3 42.22 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.106 0.41 . . . . 25.0 112.106 -177.566 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -113.02 119.87 39.39 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 116.218 -0.446 . . . . 25.0 110.021 178.459 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -74.5 -46.54 19.16 Favored Glycine 0 C--O 1.247 0.908 0 N-CA-C 115.733 1.053 . . . . 25.0 115.733 -176.326 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.2 -176.2 54.79 Favored Glycine 0 C--O 1.239 0.451 0 O-C-N 122.017 -0.696 . . . . 25.0 111.898 -177.003 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.85 155.37 16.46 Favored 'General case' 0 C--O 1.241 0.652 0 O-C-N 121.93 -0.747 . . . . 25.0 109.877 179.524 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.94 166.94 41.89 Favored Glycine 0 C--O 1.242 0.601 0 N-CA-C 110.806 -0.918 . . . . 25.0 110.806 -177.141 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.5 ptt180 -90.92 126.79 36.16 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 106.838 -1.542 . . . . 25.0 106.838 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -123.27 160.05 27.47 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-O 121.128 0.489 . . . . 50.0 111.411 -171.535 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -116.04 108.03 15.7 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 105.798 -1.927 . . . . 25.0 105.798 176.085 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.3 mt -103.48 97.97 7.93 Favored 'General case' 0 C--N 1.32 -0.678 0 O-C-N 123.746 0.654 . . . . 25.0 110.212 -173.595 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.449 ' HB ' ' HA ' ' A' ' 29' ' ' ASP . 7.9 m -92.48 114.48 27.04 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 108.481 -0.933 . . . . 25.0 108.481 -179.284 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -83.45 -38.71 10.5 Favored Glycine 0 C--O 1.24 0.475 0 C-N-CA 119.836 -1.173 . . . . 25.0 112.333 -177.742 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 72.63 -164.3 54.71 Favored Glycine 0 C--O 1.24 0.509 0 N-CA-C 110.939 -0.864 . . . . 25.0 110.939 -177.405 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.0 mt -65.9 156.72 32.6 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.113 0.482 . . . . 25.0 110.618 178.109 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.96 165.56 32.79 Favored Glycine 0 C--O 1.242 0.605 0 N-CA-C 110.627 -0.989 . . . . 25.0 110.627 -178.235 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.88 112.41 21.12 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 106.538 -1.653 . . . . 25.0 106.538 179.019 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -112.49 152.54 28.65 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.292 -0.413 . . . . 50.0 109.904 -174.308 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.2 t -125.99 136.17 52.68 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 108.904 -0.776 . . . . 25.0 108.904 174.171 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -112.36 125.78 54.56 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 106.417 -1.698 . . . . 25.0 106.417 -177.019 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 42.7 ttt-85 -121.16 148.84 43.68 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.533 0.682 . . . . 25.0 112.126 -171.506 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 52.2 p90 -76.24 146.95 38.66 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.074 -1.084 . . . . 25.0 108.074 171.638 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -119.85 -4.03 10.2 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.081 -0.711 . . . . 25.0 109.081 172.086 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.442 ' HG ' ' H ' ' A' ' 61' ' ' GLU . 26.4 tp -154.99 158.38 39.09 Favored 'General case' 0 C--O 1.221 -0.413 0 N-CA-C 108.726 -0.842 . . . . 25.0 108.726 -177.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 32.2 ptt85 -66.06 -26.13 67.35 Favored 'General case' 0 C--O 1.211 -0.922 0 O-C-N 122.029 -0.42 . . . . 25.0 110.319 174.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.442 ' H ' ' HG ' ' A' ' 59' ' ' LEU . 49.7 mt-10 -101.86 16.17 26.75 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.675 0.75 . . . . 25.0 111.802 -175.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -58.69 -30.9 67.74 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.67 -0.695 . . . . 25.0 111.638 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 45.4 m -127.33 48.88 2.16 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.369 0.668 . . . . 25.0 111.811 -178.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -101.75 142.86 32.43 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 113.642 0.978 . . . . 25.0 113.642 -169.46 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -129.22 131.93 47.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.388 0.613 . . . . 25.0 109.419 170.492 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 91.2 p -121.03 166.33 16.17 Favored Pre-proline 0 C--N 1.319 -0.76 0 N-CA-C 106.058 -1.83 . . . . 25.0 106.058 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -71.23 -4.63 15.32 Favored 'Trans proline' 0 CA--C 1.533 0.474 0 C-N-CA 115.572 -2.485 . . . . 25.0 113.071 176.507 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 68.6 mt -102.58 -4.6 24.99 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 111.763 0.283 . . . . 25.0 111.763 -178.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 165.7 158.27 10.63 Favored Glycine 0 N--CA 1.458 0.133 0 C-N-CA 120.521 -0.847 . . . . 25.0 114.231 -178.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.4 t -112.75 134.13 54.42 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.454 0.645 . . . . 25.0 111.451 -179.207 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -128.34 15.45 6.65 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.234 -0.894 . . . . 25.0 108.697 -178.329 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 67.2 p -71.55 146.33 48.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.669 -0.696 . . . . 25.0 110.532 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -93.58 156.41 16.74 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 113.502 0.927 . . . . 50.0 113.502 -177.015 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.2 mp -117.47 131.55 56.71 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 105.552 -2.018 . . . . 25.0 105.552 175.65 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 31.0 mt -105.59 142.37 18.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 106.119 -1.808 . . . . 25.0 106.119 177.487 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -126.31 151.54 47.39 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 108.032 -1.099 . . . . 25.0 108.032 -174.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 54.73 44.6 28.27 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 122.243 1.02 . . . . 25.0 109.849 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -83.97 127.86 34.16 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.602 -1.181 . . . . 25.0 111.478 -178.173 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -102.56 101.09 18.19 Favored Pre-proline 0 C--N 1.322 -0.598 0 N-CA-C 108.372 -0.973 . . . . 25.0 108.372 178.032 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -69.01 -4.58 13.81 Favored 'Trans proline' 0 C--N 1.343 0.267 0 N-CA-C 115.16 1.177 . . . . 25.0 115.16 -178.199 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.7 t -98.74 -3.78 34.98 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 111.823 0.305 . . . . 25.0 111.823 176.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 44.8 mm-40 -140.91 -38.74 0.42 Allowed 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 114.792 1.404 . . . . 25.0 114.792 -173.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -81.41 158.84 24.47 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.864 0.364 . . . . 50.0 111.747 -172.502 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 27.6 tptt -132.91 152.98 51.81 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 111.877 0.325 . . . . 25.0 111.877 -178.102 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 20.8 mt -130.71 120.48 48.06 Favored 'Isoleucine or valine' 0 C--O 1.239 0.54 0 CA-C-O 120.853 0.358 . . . . 25.0 111.007 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.0 119.28 35.18 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.311 -0.626 . . . . 25.0 109.311 176.203 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.7 m -130.18 25.31 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 CA-C-O 122.225 1.012 . . . . 25.0 109.353 179.281 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.31 -13.52 19.79 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 115.323 1.601 . . . . 25.0 115.323 -174.307 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.96 -18.23 61.39 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 112.936 0.717 . . . . 25.0 112.936 178.273 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 24.2 mt -86.83 -53.27 5.01 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 107.182 -1.414 . . . . 25.0 107.182 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.473 0 N-CA-C 109.238 -1.545 . . . . 25.0 109.238 -176.545 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 . . . . . 0 N--CA 1.469 0.522 0 N-CA-C 110.221 -0.289 . . . . 25.0 110.221 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 83.84 1.88 89.8 Favored Glycine 0 N--CA 1.461 0.336 0 N-CA-C 114.349 0.5 . . . . 25.0 114.349 -177.058 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.486 ' HA ' ' HB3' ' A' ' 119' ' ' TYR . 87.6 m-85 -139.77 152.83 46.9 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.786 -0.45 . . . . 25.0 109.786 -179.127 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 58.54 48.61 11.69 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 113.844 1.053 . . . . 25.0 113.844 176.088 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 76.34 31.55 54.38 Favored Glycine 0 CA--C 1.51 -0.248 0 C-N-CA 120.761 -0.733 . . . . 25.0 111.802 174.594 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 27.9 p -134.8 149.51 50.4 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 105.667 -1.975 . . . . 25.0 105.667 178.519 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.3 mt -94.97 150.24 20.38 Favored 'General case' 0 C--O 1.217 -0.629 0 N-CA-C 116.203 1.927 . . . . 25.0 116.203 -169.575 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -145.17 160.32 41.62 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 107.328 -1.36 . . . . 25.0 107.328 168.369 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 11.6 p -125.68 152.03 32.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 107.11 -1.441 . . . . 25.0 107.11 178.34 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 46.9 m -145.13 161.66 38.94 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 107.989 -1.115 . . . . 25.0 107.989 178.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 72.3 mt . . . . . 0 C--N 1.324 -0.503 0 N-CA-C 107.82 -1.178 . . . . 25.0 107.82 178.944 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 58.9 mtt85 . . . . . 0 CA--C 1.503 -0.859 0 N-CA-C 107.92 -1.141 . . . . 25.0 107.92 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 13.1 m -131.92 150.12 52.24 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 106.88 -1.526 . . . . 25.0 106.88 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -136.25 149.05 48.32 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.485 -0.932 . . . . 25.0 108.485 -178.255 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 49.4 mt -130.41 138.94 50.59 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.506 -1.294 . . . . 25.0 107.506 178.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 35.6 tttt -140.6 134.3 30.3 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 113.632 0.975 . . . . 25.0 113.632 -177.593 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 28.3 t -111.68 -36.91 5.33 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 123.794 0.684 . . . . 25.0 111.452 176.373 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' TYR . . . . . 0.486 ' HB3' ' HA ' ' A' ' 99' ' ' TYR . 30.2 t80 . . . . . 0 N--CA 1.481 1.105 0 C-N-CA 123.523 0.729 . . . . 25.0 112.63 179.369 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.456 ' HA ' ' HA ' ' A' ' 119' ' ' TYR . 9.3 t . . . . . 0 N--CA 1.444 -0.734 0 N-CA-C 109.045 -0.724 . . . . 25.0 109.045 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -131.99 123.22 26.9 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 105.061 -2.2 . . . . 25.0 105.061 175.137 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -146.26 153.48 40.63 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.669 -1.15 . . . . 25.0 110.352 -168.248 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 5.3 mp -137.23 165.12 26.9 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 107.489 -1.3 . . . . 25.0 107.489 177.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -143.3 154.58 43.93 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.774 0.321 . . . . 25.0 110.292 176.739 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 40.4 mt -125.28 131.86 53.01 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 105.226 -2.139 . . . . 25.0 105.226 175.052 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -114.65 135.17 54.45 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 106.425 -1.694 . . . . 25.0 106.425 177.446 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 76.31 19.63 78.08 Favored Glycine 0 C--O 1.224 -0.479 0 C-N-CA 120.576 -0.821 . . . . 25.0 112.041 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -64.67 140.99 58.92 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 122.449 -0.442 . . . . 25.0 110.633 -179.4 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -76.16 78.02 2.98 Favored 'General case' 0 C--O 1.219 -0.549 0 N-CA-C 109.632 -0.507 . . . . 25.0 109.632 174.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -60.8 -29.08 69.23 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.23 0.538 . . . . 25.0 110.094 177.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -62.09 -27.07 68.66 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 115.716 -0.675 . . . . 25.0 111.981 177.713 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 76.6 p -125.09 28.61 6.34 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 111.97 0.359 . . . . 25.0 111.97 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.7 pp -63.37 154.38 32.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.554 0.692 . . . . 25.0 111.442 -177.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 47.5 t -146.19 153.5 40.7 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.285 -1.005 . . . . 25.0 108.285 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -82.8 11.95 5.37 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 112.702 0.631 . . . . 25.0 112.702 -178.367 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -103.79 10.16 52.33 Favored Glycine 0 C--O 1.221 -0.66 0 N-CA-C 115.771 1.068 . . . . 25.0 115.771 -176.376 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -61.34 -42.91 99.47 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 113.775 1.028 . . . . 25.0 113.775 -174.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 98.7 mt -80.71 148.69 5.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 107.422 -1.325 . . . . 25.0 107.422 -175.054 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 9.9 p -51.4 -33.97 14.8 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 N-CA-C 114.358 1.244 . . . . 25.0 114.358 -178.099 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 . . . . . 0 C--N 1.328 -0.369 0 N-CA-C 111.888 0.329 . . . . 25.0 111.888 178.888 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 . . . . . 0 CA--C 1.516 -0.354 0 N-CA-C 107.008 -1.478 . . . . 25.0 107.008 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -95.16 -179.1 37.2 Favored Glycine 0 N--CA 1.45 -0.377 0 CA-C-O 121.663 0.591 . . . . 25.0 113.019 -177.266 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 81.0 p -109.34 -177.16 3.22 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 105.605 -1.998 . . . . 25.0 105.605 176.424 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -87.87 6.1 37.14 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.854 0.835 . . . . 25.0 111.147 175.333 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -89.49 -165.24 40.83 Favored Glycine 0 CA--C 1.517 0.188 0 N-CA-C 108.685 -1.766 . . . . 25.0 108.685 171.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -90.2 125.94 35.65 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.342 -0.984 . . . . 25.0 108.342 178.327 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -123.52 154.06 39.71 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 121.155 0.502 . . . . 50.0 111.752 -177.184 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 92.2 t -126.52 111.05 24.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 104.427 -2.434 . . . . 25.0 104.427 169.769 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 85.3 mt -120.5 137.33 54.42 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.829 -0.169 . . . . 25.0 110.673 -175.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.424 ' HA ' ' HB2' ' A' ' 29' ' ' ASP . 80.1 mt -125.76 127.1 71.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 108.274 -1.01 . . . . 25.0 108.274 179.341 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -85.67 167.63 40.82 Favored Glycine 0 N--CA 1.452 -0.296 0 CA-C-O 121.652 0.585 . . . . 25.0 113.965 -178.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.1 t -94.96 -178.07 4.37 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 123.703 0.801 . . . . 25.0 110.125 179.126 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -74.16 -20.45 60.22 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 113.244 0.831 . . . . 25.0 113.244 -178.741 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.6 m -74.42 164.38 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 109.516 -0.55 . . . . 25.0 109.516 177.731 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.91 138.8 27.52 Favored Glycine 0 CA--C 1.518 0.221 0 N-CA-C 110.279 -1.128 . . . . 25.0 110.279 177.627 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -144.48 166.48 25.02 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 117.528 0.664 . . . . 50.0 112.558 -174.346 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -118.14 122.38 42.92 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 104.937 -2.246 . . . . 25.0 104.937 169.137 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 33.5 mm -118.38 130.52 73.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 106.97 -1.493 . . . . 25.0 106.97 -175.703 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 80.6 p -125.74 139.17 53.75 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 121.906 -0.496 . . . . 25.0 110.562 179.268 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -92.19 -35.08 6.81 Favored Glycine 0 C--O 1.227 -0.292 0 C-N-CA 121.087 -0.577 . . . . 25.0 113.82 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 71.42 -159.96 53.95 Favored Glycine 0 C--O 1.245 0.8 0 N-CA-C 110.378 -1.089 . . . . 25.0 110.378 -176.162 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.01 178.79 3.56 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 118.3 1.05 . . . . 25.0 108.584 175.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.12 167.03 37.21 Favored Glycine 0 C--O 1.243 0.71 0 C-N-CA 120.846 -0.692 . . . . 25.0 112.728 -179.017 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -92.48 110.88 22.3 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.366 -0.605 . . . . 25.0 109.366 -175.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -120.05 162.01 19.99 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 114.621 1.341 . . . . 50.0 114.621 -169.223 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 20.0 ttt85 -124.91 129.99 51.49 Favored 'General case' 0 CA--C 1.51 -0.586 0 N-CA-C 104.732 -2.321 . . . . 25.0 104.732 167.395 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 61.0 mt -125.66 133.81 52.06 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.062 -1.088 . . . . 25.0 108.062 -178.267 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.424 ' HB2' ' HA ' ' A' ' 11' ' ' ILE . 5.7 m-20 -121.67 138.34 54.38 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 105.855 -1.906 . . . . 25.0 105.855 173.291 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -96.57 -26.31 10.96 Favored Glycine 0 C--N 1.32 -0.325 0 C-N-CA 121.472 -0.394 . . . . 25.0 112.598 -179.223 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 72.23 -160.38 54.03 Favored Glycine 0 C--O 1.245 0.785 0 N-CA-C 110.827 -0.909 . . . . 25.0 110.827 -176.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.5 175.38 7.09 Favored 'General case' 0 C--O 1.245 0.851 0 O-C-N 122.239 -0.565 . . . . 25.0 109.707 178.037 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.33 167.92 34.8 Favored Glycine 0 C--O 1.241 0.541 0 N-CA-C 110.565 -1.014 . . . . 25.0 110.565 -177.355 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -82.58 136.19 34.88 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 106.934 -1.506 . . . . 25.0 106.934 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -137.55 150.5 47.53 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 113.644 0.979 . . . . 50.0 113.644 -173.463 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.2 mp -109.15 130.49 55.48 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 105.453 -2.055 . . . . 25.0 105.453 175.134 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.7 mp -131.44 111.33 11.71 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 112.613 0.597 . . . . 25.0 112.613 -177.641 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -97.64 127.38 43.55 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 122.462 0.305 . . . . 25.0 111.322 179.338 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -81.94 -55.81 3.05 Favored Glycine 0 C--O 1.251 1.162 0 N-CA-C 116.24 1.256 . . . . 25.0 116.24 -177.14 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.24 -173.68 55.27 Favored Glycine 0 C--O 1.24 0.517 0 O-C-N 122.25 -0.559 . . . . 25.0 112.241 -177.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.68 162.99 12.17 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 122.288 -0.536 . . . . 25.0 110.682 178.143 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 85.13 168.11 44.22 Favored Glycine 0 N--CA 1.463 0.468 0 N-CA-C 110.871 -0.891 . . . . 25.0 110.871 -177.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.0 ptp85 -85.8 127.61 34.6 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 118.345 1.072 . . . . 25.0 108.703 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -122.68 148.72 44.96 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 116.143 -0.48 . . . . 50.0 110.715 -173.126 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? -124.31 103.35 8.17 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 106.119 -1.808 . . . . 25.0 106.119 -178.566 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.9 mp -108.23 117.19 33.49 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.502 -0.317 . . . . 25.0 111.603 -169.513 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.7 m -108.71 115.91 30.98 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 122.568 0.347 . . . . 25.0 110.423 -178.539 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -80.59 -42.03 10.56 Favored Glycine 0 C--O 1.244 0.738 0 C-N-CA 120.01 -1.09 . . . . 25.0 114.326 -176.395 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 72.71 -163.6 54.8 Favored Glycine 0 CA--C 1.52 0.361 0 N-CA-C 111.119 -0.792 . . . . 25.0 111.119 -177.475 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 95.5 mt -64.87 158.0 26.37 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-O 121.004 0.43 . . . . 25.0 111.003 178.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 92.22 167.98 40.09 Favored Glycine 0 C--O 1.246 0.893 0 N-CA-C 110.413 -1.075 . . . . 25.0 110.413 -177.535 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -84.6 123.41 30.29 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 106.51 -1.663 . . . . 25.0 106.51 178.331 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -121.08 150.02 41.84 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.373 -0.603 . . . . 50.0 109.373 -175.268 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.7 t -126.25 129.46 48.97 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.741 -0.837 . . . . 25.0 108.741 174.287 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -107.2 130.86 54.67 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 105.98 -1.859 . . . . 25.0 105.98 -176.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 52.2 ttt180 -127.3 140.03 52.49 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 113.935 1.087 . . . . 25.0 113.935 -169.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -90.26 150.63 21.87 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 114.743 -1.117 . . . . 25.0 108.84 176.133 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -101.73 -44.57 5.51 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.45 -0.574 . . . . 25.0 109.45 177.396 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 41.0 tp -140.42 158.69 43.62 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 105.987 -1.856 . . . . 25.0 105.987 178.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 39.9 ptt180 -61.17 -20.84 63.2 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-O 121.346 0.593 . . . . 25.0 111.776 179.342 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -83.27 3.73 30.04 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.826 -0.625 . . . . 25.0 111.163 -178.033 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -61.38 -32.09 72.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.448 -0.342 . . . . 25.0 110.09 175.521 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.7 p -131.55 93.58 3.36 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.492 0.663 . . . . 25.0 109.44 -177.578 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 49.4 t-80 -138.01 153.4 49.4 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.752 -0.658 . . . . 25.0 109.691 -173.024 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 -132.73 153.56 51.05 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 108.955 -0.757 . . . . 25.0 108.955 175.126 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 89.1 p -151.08 166.63 14.67 Favored Pre-proline 0 C--N 1.322 -0.599 0 N-CA-C 106.723 -1.584 . . . . 25.0 106.723 -176.607 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -70.01 -11.32 30.28 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 115.946 -2.236 . . . . 25.0 112.975 176.143 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 83.1 mt -88.54 -3.02 58.9 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 122.304 0.242 . . . . 25.0 111.496 179.243 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 144.72 172.25 15.11 Favored Glycine 0 C--O 1.235 0.203 0 C-N-CA 120.754 -0.736 . . . . 25.0 114.073 179.371 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.8 t -107.2 141.24 38.8 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.289 0.566 . . . . 25.0 111.014 -178.405 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -128.59 16.95 6.43 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 106.039 -1.837 . . . . 25.0 106.039 177.214 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 46.4 t -66.33 145.91 55.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.498 -1.228 . . . . 25.0 109.64 -178.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -98.74 148.75 23.55 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.337 -0.392 . . . . 50.0 111.593 -178.291 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.6 mp -118.11 131.21 56.44 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 106.946 -1.501 . . . . 25.0 106.946 177.529 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 52.8 mt -106.63 142.23 19.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 N-CA-C 102.839 -3.023 . . . . 25.0 102.839 169.386 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 40.5 mt -122.48 141.05 52.05 Favored 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 108.812 -0.81 . . . . 25.0 108.812 -172.389 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 54.68 47.78 21.76 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 122.284 1.04 . . . . 25.0 111.618 174.42 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -79.42 133.8 36.55 Favored 'General case' 0 C--O 1.241 0.635 0 CA-C-N 114.736 -1.12 . . . . 25.0 111.46 -177.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -98.43 103.11 16.65 Favored Pre-proline 0 N--CA 1.467 0.419 0 CA-C-N 116.183 -0.462 . . . . 25.0 110.066 177.601 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -73.17 8.27 1.82 Allowed 'Trans proline' 0 CA--C 1.536 0.585 0 N-CA-C 115.004 1.117 . . . . 25.0 115.004 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 19.9 t -107.76 -7.71 16.27 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 115.864 -0.607 . . . . 25.0 110.451 177.384 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 25.4 mm-40 -141.39 -33.86 0.5 Allowed 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 114.538 1.311 . . . . 25.0 114.538 -174.151 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -91.71 157.49 16.9 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.289 0.566 . . . . 50.0 112.091 -170.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -135.18 154.61 51.56 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.899 -0.591 . . . . 25.0 110.218 -175.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 42.7 mt -121.64 117.33 52.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 107.769 -1.197 . . . . 25.0 107.769 176.318 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -86.14 111.76 20.67 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.062 -0.718 . . . . 25.0 109.062 -179.583 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 23.8 m -132.51 160.1 42.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 108.517 -0.92 . . . . 25.0 108.517 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 48.4 t -156.87 -73.41 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.833 0.309 . . . . 25.0 111.833 178.093 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -76.87 41.48 0.28 Allowed 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 115.174 1.546 . . . . 25.0 115.174 -174.032 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 15.6 mt -105.72 -41.98 5.3 Favored 'General case' 0 C--O 1.218 -0.563 0 N-CA-C 106.895 -1.521 . . . . 25.0 106.895 176.117 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.517 0 N-CA-C 116.752 1.461 . . . . 25.0 116.752 172.681 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 . . . . . 0 N--CA 1.473 0.702 0 N-CA-C 115.753 1.76 . . . . 25.0 115.753 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 77.66 16.27 80.36 Favored Glycine 0 C--N 1.321 -0.268 0 C-N-CA 119.969 -1.11 . . . . 25.0 113.097 -177.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -137.82 166.5 23.85 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.186 -1.042 . . . . 25.0 108.186 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 53.26 42.16 32.11 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.247 0.619 . . . . 25.0 111.88 178.328 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 80.63 3.46 90.21 Favored Glycine 0 C--O 1.225 -0.431 0 C-N-CA 120.966 -0.635 . . . . 25.0 114.654 177.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 63.4 p -100.02 158.83 15.55 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 118.388 1.094 . . . . 25.0 109.072 178.065 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 14.2 mt -94.54 171.49 8.77 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 123.534 0.734 . . . . 25.0 109.309 177.673 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -149.03 153.31 37.69 Favored 'General case' 0 C--O 1.24 0.596 0 N-CA-C 101.158 -3.645 . . . . 25.0 101.158 170.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 9.0 p -140.05 153.92 22.97 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 N-CA-C 113.189 0.811 . . . . 25.0 113.189 -173.057 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 50.1 m -138.43 148.36 44.34 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 102.196 -3.261 . . . . 25.0 102.196 171.725 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.433 ' HA ' ' HA ' ' A' ' 114' ' ' THR . 1.7 mp . . . . . 0 N--CA 1.473 0.676 0 N-CA-C 114.738 1.384 . . . . 25.0 114.738 -171.556 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 64.9 mtt85 . . . . . 0 N--CA 1.499 1.977 0 CA-C-O 121.949 0.88 . . . . 25.0 110.515 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.433 ' HA ' ' HA ' ' A' ' 107' ' ' LEU . 29.1 m -99.95 138.71 36.66 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 107.027 -1.472 . . . . 25.0 107.027 -178.075 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -132.31 141.13 48.84 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 108.01 -1.107 . . . . 25.0 108.01 178.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 5.1 mp -126.41 129.29 48.46 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 106.432 -1.692 . . . . 25.0 106.432 -179.476 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -128.98 133.7 47.88 Favored 'General case' 0 C--N 1.322 -0.605 0 O-C-N 122.931 0.144 . . . . 25.0 110.787 -176.248 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.0 t -143.41 157.13 44.71 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.173 -1.047 . . . . 25.0 108.173 174.327 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 64.5 t80 . . . . . 0 C--N 1.321 -0.648 0 N-CA-C 106.44 -1.689 . . . . 25.0 106.44 176.407 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 47.7 m . . . . . 0 C--O 1.232 0.156 0 N-CA-C 109.754 -0.461 . . . . 25.0 109.754 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -113.36 109.0 18.0 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 106.414 -1.699 . . . . 25.0 106.414 177.397 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -136.05 145.76 46.35 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.094 -0.503 . . . . 25.0 110.676 -169.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.8 mp -136.0 166.99 22.06 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.399 0.68 . . . . 25.0 109.873 -176.187 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -143.29 153.54 42.86 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.673 -0.492 . . . . 25.0 109.673 175.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 13.1 mt -140.72 112.55 7.61 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 108.427 -0.953 . . . . 25.0 108.427 178.555 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -99.75 155.05 17.84 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.186 -0.672 . . . . 25.0 109.186 -175.362 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 60.52 27.11 65.44 Favored Glycine 0 C--O 1.221 -0.665 0 C-N-CA 120.906 -0.664 . . . . 25.0 113.157 174.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -84.7 142.94 29.52 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 122.2 -0.588 . . . . 25.0 110.115 -176.589 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 70.9 m80 -76.55 76.31 3.25 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.386 -0.824 . . . . 25.0 109.915 176.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -64.14 -26.41 68.52 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.062 -0.517 . . . . 25.0 109.72 178.693 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.65 -26.36 67.96 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.115 -0.493 . . . . 25.0 110.885 176.603 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 71.1 p -125.28 36.62 4.54 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.756 -0.202 . . . . 25.0 110.561 178.45 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.8 pp -60.11 153.71 21.17 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.286 0.565 . . . . 25.0 110.775 -177.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 90.8 p -149.31 159.39 44.31 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.653 -0.869 . . . . 25.0 108.653 -179.272 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -98.62 -6.61 29.53 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 121.206 0.527 . . . . 25.0 110.482 178.744 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -79.9 0.95 81.18 Favored Glycine 0 C--O 1.221 -0.704 0 CA-C-N 116.162 -0.472 . . . . 25.0 114.156 -176.337 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -71.88 -14.74 62.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.311 0.577 . . . . 25.0 111.436 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 62.8 mt -85.6 131.44 34.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 105.818 -1.919 . . . . 25.0 105.818 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 10.0 p -55.46 -20.9 8.25 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.773 0 N-CA-C 114.677 1.362 . . . . 25.0 114.677 -177.38 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 . . . . . 0 C--N 1.326 -0.422 0 O-C-N 121.552 -0.717 . . . . 25.0 111.506 178.901 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 26.5 pt20 . . . . . 0 N--CA 1.478 0.956 0 N-CA-C 112.029 0.381 . . . . 25.0 112.029 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -84.78 162.43 37.46 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.93 -0.653 . . . . 25.0 113.888 -175.36 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.5 t -137.94 -170.0 2.68 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 106.329 -1.73 . . . . 25.0 106.329 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -69.34 147.29 51.3 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.991 -0.744 . . . . 25.0 108.991 177.401 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 97.26 -174.43 29.79 Favored Glycine 0 CA--C 1.517 0.167 0 N-CA-C 108.587 -1.805 . . . . 25.0 108.587 -172.626 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 36.4 m-20 -93.45 134.41 35.73 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 118.347 1.074 . . . . 25.0 110.73 -175.695 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -126.18 154.21 43.56 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.024 0.44 . . . . 50.0 111.196 -179.263 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 96.9 t -124.93 113.53 36.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 104.758 -2.312 . . . . 25.0 104.758 170.671 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 43.1 mt -121.38 133.16 55.09 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.817 -0.809 . . . . 25.0 108.817 -173.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.424 ' HA ' ' HB3' ' A' ' 29' ' ' ASP . 77.5 mt -132.7 127.0 55.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 107.748 -1.204 . . . . 25.0 107.748 179.465 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -89.15 -174.98 46.56 Favored Glycine 0 N--CA 1.452 -0.265 0 CA-C-O 121.836 0.687 . . . . 25.0 113.675 -178.731 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 88.0 p -116.67 -177.02 3.09 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 123.593 0.757 . . . . 25.0 109.35 -178.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -72.31 -14.22 61.69 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 115.618 1.71 . . . . 25.0 115.618 -175.024 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.8 m -83.06 166.96 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 N-CA-C 109.197 -0.668 . . . . 25.0 109.197 177.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.62 135.72 22.32 Favored Glycine 0 CA--C 1.515 0.078 0 N-CA-C 110.893 -0.883 . . . . 25.0 110.893 178.372 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -141.61 161.74 37.2 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.232 0.539 . . . . 50.0 112.1 -173.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -119.08 119.32 33.87 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 106.012 -1.847 . . . . 25.0 106.012 172.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 68.9 mt -128.88 127.51 66.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 109.269 -0.641 . . . . 25.0 109.269 -174.456 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 99.0 p -121.44 142.7 49.78 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.354 -0.609 . . . . 25.0 109.354 174.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -94.29 -22.9 23.52 Favored Glycine 0 C--O 1.235 0.202 0 C-N-CA 121.271 -0.49 . . . . 25.0 112.631 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 71.91 -157.97 53.24 Favored Glycine 0 C--O 1.244 0.719 0 C-N-CA 121.013 -0.613 . . . . 25.0 111.962 -178.047 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.43 170.1 13.95 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.111 -0.7 . . . . 25.0 109.111 178.336 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.37 171.53 48.23 Favored Glycine 0 C--O 1.238 0.394 0 N-CA-C 111.581 -0.607 . . . . 25.0 111.581 -179.129 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -90.77 118.4 30.16 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 107.637 -1.246 . . . . 25.0 107.637 -178.2 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -126.59 158.09 37.16 Favored 'General case' 0 C--O 1.24 0.581 0 N-CA-C 113.293 0.849 . . . . 50.0 113.293 -171.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 56.6 ttt85 -110.1 129.89 55.62 Favored 'General case' 0 CA--C 1.509 -0.624 0 N-CA-C 105.139 -2.171 . . . . 25.0 105.139 164.135 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.8 mp -116.03 140.5 49.21 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 103.335 -2.839 . . . . 25.0 103.335 172.314 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.424 ' HB3' ' HA ' ' A' ' 11' ' ' ILE . 35.0 t0 -141.05 131.54 25.34 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 104.745 -2.317 . . . . 25.0 104.745 177.232 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -101.34 -22.42 10.55 Favored Glycine 0 C--N 1.319 -0.403 0 N-CA-C 114.124 0.41 . . . . 25.0 114.124 -173.08 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 64.67 -155.93 47.1 Favored Glycine 0 C--O 1.245 0.834 0 C-N-CA 120.536 -0.84 . . . . 25.0 111.307 -174.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.33 174.92 8.16 Favored 'General case' 0 C--O 1.242 0.67 0 O-C-N 121.696 -0.885 . . . . 25.0 110.788 179.13 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 81.63 163.75 32.02 Favored Glycine 0 C--O 1.234 0.103 0 N-CA-C 110.468 -1.053 . . . . 25.0 110.468 -177.52 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -81.45 132.47 35.32 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 106.781 -1.563 . . . . 25.0 106.781 -179.7 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -134.52 153.89 51.72 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 113.604 0.964 . . . . 50.0 113.604 -172.433 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.7 mp -110.94 125.41 53.66 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.268 -1.382 . . . . 25.0 107.268 175.463 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.6 mp -125.16 108.39 11.73 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.177 0.513 . . . . 25.0 112.123 -176.41 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -96.92 105.76 17.96 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 109.525 -0.546 . . . . 25.0 109.525 177.427 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -62.59 -44.34 97.68 Favored Glycine 0 C--O 1.246 0.859 0 C-N-CA 120.481 -0.866 . . . . 25.0 113.358 -177.491 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.31 174.15 45.4 Favored Glycine 0 CA--C 1.518 0.257 0 O-C-N 122.136 -0.626 . . . . 25.0 111.759 -179.125 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.6 152.95 11.05 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 122.133 -0.628 . . . . 25.0 110.233 178.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 94.96 170.39 36.78 Favored Glycine 0 C--O 1.24 0.521 0 N-CA-C 110.08 -1.208 . . . . 25.0 110.08 -175.639 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.2 ptp85 -91.56 133.18 35.75 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 106.791 -1.559 . . . . 25.0 106.791 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -131.68 162.48 30.33 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 112.647 0.61 . . . . 50.0 112.647 -171.254 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -121.99 110.4 15.77 Favored 'General case' 0 CA--C 1.511 -0.533 0 N-CA-C 106.135 -1.802 . . . . 25.0 106.135 176.365 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.5 mp -107.98 105.67 15.55 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.343 -0.614 . . . . 25.0 109.343 -173.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.6 m -97.01 113.44 24.98 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.296 -1.001 . . . . 25.0 108.296 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -81.57 -39.81 11.78 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 119.658 -1.258 . . . . 25.0 112.786 -176.242 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.496 ' H ' ' HB2' ' A' ' 77' ' ' ASP . . . 74.64 -164.17 54.54 Favored Glycine 0 C--O 1.243 0.716 0 N-CA-C 111.04 -0.824 . . . . 25.0 111.04 -177.323 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.9 mp -63.88 154.09 34.84 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.39 -0.596 . . . . 25.0 109.39 178.531 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 95.86 166.08 34.45 Favored Glycine 0 C--O 1.244 0.735 0 N-CA-C 111.272 -0.731 . . . . 25.0 111.272 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -82.1 120.38 25.24 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 106.449 -1.686 . . . . 25.0 106.449 178.642 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -119.79 144.21 47.43 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 109.375 -0.602 . . . . 50.0 109.375 -175.293 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 6.8 t -114.35 128.03 56.15 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.362 -0.977 . . . . 25.0 108.362 175.556 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -109.21 121.52 45.34 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 105.714 -1.958 . . . . 25.0 105.714 -177.354 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 75.2 ttt-85 -132.67 146.39 51.83 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 114.559 1.318 . . . . 25.0 114.559 -163.459 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 35.0 p90 -77.12 152.35 34.97 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.016 -0.993 . . . . 25.0 111.28 176.434 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -108.18 -28.67 9.35 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 109.144 -0.687 . . . . 25.0 109.144 169.191 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -133.87 163.73 28.85 Favored 'General case' 0 C--O 1.214 -0.787 0 N-CA-C 106.787 -1.56 . . . . 25.0 106.787 178.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.22 -14.25 62.53 Favored 'General case' 0 C--O 1.212 -0.872 0 O-C-N 121.609 -0.682 . . . . 25.0 111.827 175.138 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -102.84 12.32 36.34 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.134 0.574 . . . . 25.0 111.216 -178.178 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -53.82 -36.21 62.27 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 113.814 1.042 . . . . 25.0 113.814 -175.598 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.8 p -142.45 100.59 3.72 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.887 -0.783 . . . . 25.0 108.887 178.644 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 36.0 p-80 -140.93 169.87 16.81 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.449 -0.341 . . . . 25.0 110.555 -176.497 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -135.88 149.68 49.09 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.724 -1.214 . . . . 25.0 107.724 176.081 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 99.3 p -155.21 170.67 8.3 Favored Pre-proline 0 C--N 1.321 -0.638 0 N-CA-C 106.016 -1.846 . . . . 25.0 106.016 -176.191 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -70.3 -8.16 22.95 Favored 'Trans proline' 0 CA--C 1.537 0.644 0 C-N-CA 115.115 -2.79 . . . . 25.0 113.579 176.144 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.9 mp -77.31 -11.92 59.89 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 109.75 -0.463 . . . . 25.0 109.75 175.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 141.59 175.3 15.0 Favored Glycine 0 N--CA 1.451 -0.302 0 CA-C-O 121.967 0.76 . . . . 25.0 112.929 178.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.5 t -97.55 131.48 44.11 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.94 -0.763 . . . . 25.0 108.94 177.381 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -126.18 22.38 7.23 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 107.46 -1.311 . . . . 25.0 107.46 -179.123 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 68.3 p -72.72 152.31 41.73 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.271 -0.877 . . . . 25.0 110.916 -178.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -96.24 155.42 16.77 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.201 -0.454 . . . . 50.0 109.832 177.69 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.6 mp -123.38 131.27 53.6 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 106.818 -1.549 . . . . 25.0 106.818 177.336 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 61.5 mt -108.0 144.88 15.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 106.538 -1.653 . . . . 25.0 106.538 -178.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -124.67 152.98 42.99 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 108.013 -1.106 . . . . 25.0 108.013 -175.63 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.496 ' HB2' ' H ' ' A' ' 49' ' ' GLY . 65.7 m-20 56.58 44.44 23.98 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-O 122.119 0.961 . . . . 25.0 110.137 178.616 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -83.74 123.94 30.37 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.674 -1.148 . . . . 25.0 112.174 -177.701 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -95.89 104.94 18.3 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.154 -0.93 . . . . 25.0 108.778 177.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_endo -69.64 -6.0 17.48 Favored 'Trans proline' 0 C--N 1.345 0.38 0 N-CA-C 115.095 1.152 . . . . 25.0 115.095 -177.499 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.1 m -101.66 -2.24 30.81 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.598 0.592 . . . . 25.0 112.598 178.652 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -142.11 -38.17 0.38 Allowed 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 115.158 1.54 . . . . 25.0 115.158 -174.058 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -77.36 157.5 30.61 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.327 0.585 . . . . 50.0 111.589 -172.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 22.6 tptt -129.55 151.57 50.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.505 . . . . 25.0 111.783 -176.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 33.1 mt -128.66 115.94 39.32 Favored 'Isoleucine or valine' 0 C--O 1.245 0.868 0 N-CA-C 109.699 -0.482 . . . . 25.0 109.699 179.114 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -88.72 112.97 23.78 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.497 -0.557 . . . . 25.0 109.497 178.047 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 16.4 m -130.11 29.16 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 107.693 -1.225 . . . . 25.0 107.693 175.588 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.21 -8.7 18.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.661 -1.154 . . . . 25.0 113.515 -177.662 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.25 -17.24 63.74 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.217 0.451 . . . . 25.0 112.217 177.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 15.5 mt -116.07 -58.4 2.11 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.728 0.775 . . . . 25.0 109.669 -176.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.237 0 N-CA-C 108.587 -1.805 . . . . 25.0 108.587 -172.764 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 . . . . . 0 N--CA 1.471 0.588 0 CA-C-O 121.098 0.475 . . . . 25.0 109.874 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 76.04 -8.37 23.81 Favored Glycine 0 N--CA 1.463 0.434 0 N-CA-C 116.286 1.274 . . . . 25.0 116.286 -178.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -141.42 167.76 21.39 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 107.779 -1.193 . . . . 25.0 107.779 -176.599 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 55.6 50.97 13.38 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.391 0.676 . . . . 25.0 111.409 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 71.52 25.68 74.75 Favored Glycine 0 C--O 1.226 -0.365 0 CA-C-N 115.665 -0.698 . . . . 25.0 114.475 174.507 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 34.7 p -127.58 166.6 17.73 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.101 -0.703 . . . . 25.0 109.101 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -102.2 168.57 9.27 Favored 'General case' 0 C--O 1.213 -0.849 0 N-CA-C 112.774 0.657 . . . . 25.0 112.774 -174.555 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -147.58 142.86 27.29 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 104.105 -2.554 . . . . 25.0 104.105 170.379 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 12.6 p -128.55 146.65 33.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 107.359 -1.348 . . . . 25.0 107.359 -179.106 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 56.4 p -149.2 164.14 35.62 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 106.842 -1.54 . . . . 25.0 106.842 178.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 54.4 mt . . . . . 0 C--N 1.322 -0.62 0 N-CA-C 108.421 -0.955 . . . . 25.0 108.421 -176.678 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 . . . . . 0 CA--C 1.506 -0.73 0 N-CA-C 106.684 -1.599 . . . . 25.0 106.684 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 17.2 m -128.77 143.52 50.94 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 108.291 -1.003 . . . . 25.0 108.291 -178.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -127.93 138.47 52.65 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.297 -1.001 . . . . 25.0 108.297 178.235 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 68.6 mt -119.62 130.27 55.02 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 107.255 -1.387 . . . . 25.0 107.255 -178.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.69 133.49 43.6 Favored 'General case' 0 C--O 1.217 -0.654 0 N-CA-C 110.205 -0.294 . . . . 25.0 110.205 -179.342 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 39.0 t -144.72 155.55 43.62 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 106.789 -1.56 . . . . 25.0 106.789 174.358 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 88.0 t80 . . . . . 0 C--N 1.319 -0.721 0 N-CA-C 106.415 -1.698 . . . . 25.0 106.415 174.793 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 48.4 m . . . . . 0 CA--C 1.515 -0.384 0 N-CA-C 108.36 -0.978 . . . . 25.0 108.36 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -119.2 109.93 16.43 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 105.828 -1.916 . . . . 25.0 105.828 177.134 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -136.84 146.62 45.83 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.808 -0.633 . . . . 25.0 109.429 -169.206 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.6 mp -140.85 167.16 22.83 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 108.453 -0.943 . . . . 25.0 108.453 -177.275 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -139.15 152.34 47.36 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.836 -0.431 . . . . 25.0 109.836 175.497 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 64.5 mt -126.82 137.6 53.22 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 106.205 -1.776 . . . . 25.0 106.205 176.351 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -123.13 148.71 45.41 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.712 -0.477 . . . . 25.0 109.712 176.033 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 83.01 22.5 57.43 Favored Glycine 0 C--N 1.33 0.245 0 CA-C-O 121.68 0.6 . . . . 25.0 112.559 177.495 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 35.4 m120 -68.32 141.36 55.84 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.774 0.797 . . . . 25.0 112.35 -176.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -80.08 92.59 5.65 Favored 'General case' 0 C--O 1.217 -0.651 0 N-CA-C 107.304 -1.369 . . . . 25.0 107.304 173.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -60.26 -33.65 72.6 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.987 -0.746 . . . . 25.0 108.987 178.009 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.89 -27.82 69.07 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.241 -0.891 . . . . 25.0 111.91 178.734 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 69.8 p -129.02 33.43 4.59 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 112.398 0.518 . . . . 25.0 112.398 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.4 pp -62.75 149.61 43.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.434 0.635 . . . . 25.0 111.199 -175.689 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 40.4 t -152.43 156.15 38.94 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.719 -0.845 . . . . 25.0 108.719 -176.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -104.37 -2.39 25.53 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 122.577 0.351 . . . . 25.0 111.124 178.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -78.24 12.65 18.42 Favored Glycine 0 N--CA 1.463 0.463 0 N-CA-C 115.2 0.84 . . . . 25.0 115.2 -175.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -70.75 -20.85 62.58 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 113.202 0.816 . . . . 25.0 113.202 -176.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 145' ' ' ILE . . . . . 0.41 HG13 ' H ' ' A' ' 145' ' ' ILE . 1.0 OUTLIER -70.56 142.48 15.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.391 0.615 . . . . 25.0 111.294 -176.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 9.6 p -58.8 -20.67 17.36 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 CA-C-N 115.4 -0.818 . . . . 25.0 112.66 179.285 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 . . . . . 0 C--N 1.327 -0.397 0 N-CA-C 112.611 0.597 . . . . 25.0 112.611 -179.373 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 . . . . . 0 N--CA 1.478 0.95 0 N-CA-C 112.553 0.575 . . . . 25.0 112.553 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -99.23 179.91 31.1 Favored Glycine 0 CA--C 1.511 -0.208 0 N-CA-C 115.515 0.966 . . . . 25.0 115.515 -173.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.6 t -123.52 -177.46 3.73 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 104.579 -2.378 . . . . 25.0 104.579 175.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -83.42 3.04 33.62 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 120.72 -1.237 . . . . 25.0 113.251 -177.598 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -86.09 -170.65 47.21 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 108.886 -1.686 . . . . 25.0 108.886 170.443 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 43.2 m-20 -82.44 136.37 34.94 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 118.796 1.298 . . . . 25.0 108.654 177.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -129.5 152.08 49.43 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 121.086 0.469 . . . . 50.0 111.703 -178.21 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 99.3 t -128.53 114.22 32.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 104.498 -2.408 . . . . 25.0 104.498 170.348 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 67.8 mt -130.79 140.98 50.33 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.473 -0.33 . . . . 25.0 110.576 -174.373 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 74.1 mt -130.68 129.85 64.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 107.242 -1.392 . . . . 25.0 107.242 179.429 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -86.44 -176.06 49.63 Favored Glycine 0 C--O 1.227 -0.33 0 CA-C-O 121.762 0.645 . . . . 25.0 113.395 -179.163 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 79.9 p -114.1 -179.78 3.73 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 123.557 0.743 . . . . 25.0 109.691 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -73.96 -12.58 60.69 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 115.302 1.593 . . . . 25.0 115.302 -175.472 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.3 m -84.71 168.38 1.7 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.438 0 N-CA-C 109.063 -0.717 . . . . 25.0 109.063 178.044 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.48 137.88 26.71 Favored Glycine 0 CA--C 1.517 0.193 0 N-CA-C 110.818 -0.913 . . . . 25.0 110.818 177.511 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -142.8 164.71 29.36 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.385 0.612 . . . . 50.0 112.055 -173.572 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -126.91 114.57 18.04 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 105.888 -1.893 . . . . 25.0 105.888 173.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 62.4 mt -128.37 123.7 60.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.352 -0.61 . . . . 25.0 109.352 -174.604 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 92.1 p -113.84 139.68 48.95 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.723 -0.473 . . . . 25.0 109.723 176.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -93.62 -25.75 17.25 Favored Glycine 0 C--O 1.227 -0.312 0 C-N-CA 121.337 -0.458 . . . . 25.0 113.868 -178.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.51 -158.55 53.3 Favored Glycine 0 C--O 1.242 0.655 0 CA-C-N 117.804 0.802 . . . . 25.0 112.054 -177.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.09 179.6 3.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 121.92 -0.753 . . . . 25.0 109.776 178.13 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.71 167.27 38.71 Favored Glycine 0 C--O 1.24 0.498 0 C-N-CA 121.279 -0.486 . . . . 25.0 112.078 -178.179 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -89.66 113.0 24.41 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 107.272 -1.381 . . . . 25.0 107.272 -179.17 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -119.43 164.21 16.08 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 113.801 1.038 . . . . 50.0 113.801 -171.557 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -128.51 114.31 16.6 Favored 'General case' 0 CA--C 1.511 -0.541 0 N-CA-C 105.768 -1.938 . . . . 25.0 105.768 172.019 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -112.22 139.81 47.45 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 106.154 -1.795 . . . . 25.0 106.154 -178.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -135.25 135.62 41.05 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 104.925 -2.25 . . . . 25.0 104.925 173.718 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -99.88 -20.92 15.06 Favored Glycine 0 N--CA 1.449 -0.434 0 O-C-N 123.258 0.349 . . . . 25.0 113.292 -176.338 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 64.6 -158.63 43.3 Favored Glycine 0 C--O 1.246 0.858 0 C-N-CA 120.88 -0.676 . . . . 25.0 111.842 -175.156 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.39 174.74 7.71 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.681 -0.893 . . . . 25.0 110.135 178.451 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 83.26 164.64 36.52 Favored Glycine 0 C--O 1.236 0.242 0 N-CA-C 110.927 -0.869 . . . . 25.0 110.927 -178.189 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -83.22 126.57 32.79 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 107.682 -1.229 . . . . 25.0 107.682 -178.52 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -131.41 151.67 51.33 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 114.614 1.339 . . . . 50.0 114.614 -171.468 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.0 mp -110.19 118.61 36.82 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 107.149 -1.426 . . . . 25.0 107.149 174.231 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.8 mp -123.71 115.9 22.17 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.52 0.676 . . . . 25.0 111.935 -177.413 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -104.13 115.87 31.19 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.037 -0.529 . . . . 25.0 109.69 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -71.33 -44.3 52.4 Favored Glycine 0 C--O 1.246 0.849 0 C-N-CA 120.712 -0.756 . . . . 25.0 113.727 -176.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.02 178.32 41.42 Favored Glycine 0 CA--C 1.522 0.487 0 C-N-CA 121.329 -0.462 . . . . 25.0 112.625 -178.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.69 154.92 10.78 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.91 -0.759 . . . . 25.0 110.421 179.084 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 97.13 172.84 34.16 Favored Glycine 0 C--O 1.239 0.434 0 N-CA-C 110.344 -1.102 . . . . 25.0 110.344 -176.291 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.9 ptp85 -99.33 118.46 36.03 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 107.576 -1.268 . . . . 25.0 107.576 -178.696 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -122.07 167.48 13.09 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 113.392 0.886 . . . . 50.0 113.392 -166.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -127.01 132.01 50.87 Favored 'General case' 0 CA--C 1.509 -0.631 0 N-CA-C 104.199 -2.519 . . . . 25.0 104.199 176.652 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.9 mp -131.64 99.13 4.69 Favored 'General case' 0 C--N 1.321 -0.653 0 O-C-N 123.658 0.599 . . . . 25.0 110.479 -175.133 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 28.7 m -87.97 115.91 25.77 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 107.84 -1.17 . . . . 25.0 107.84 178.34 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -83.05 -42.19 8.21 Favored Glycine 0 C--O 1.238 0.385 0 C-N-CA 119.861 -1.161 . . . . 25.0 111.001 -179.03 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.54 -163.89 53.01 Favored Glycine 0 C--O 1.242 0.617 0 N-CA-C 111.404 -0.678 . . . . 25.0 111.404 -179.155 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.9 mt -62.43 154.54 28.0 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 121.058 0.456 . . . . 25.0 110.869 178.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 94.58 164.53 35.76 Favored Glycine 0 C--O 1.245 0.816 0 N-CA-C 110.553 -1.019 . . . . 25.0 110.553 -178.568 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.38 122.57 28.65 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 106.017 -1.846 . . . . 25.0 106.017 178.424 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -121.18 152.05 39.23 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 109.523 -0.547 . . . . 50.0 109.523 -175.354 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.1 t -123.18 138.73 54.58 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.106 -1.072 . . . . 25.0 108.106 174.77 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -119.29 129.01 54.68 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 107.848 -1.168 . . . . 25.0 107.848 -176.354 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 53.7 ttt85 -131.29 141.88 50.04 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 115.613 1.708 . . . . 25.0 115.613 -169.007 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 48.0 p90 -73.51 162.43 29.27 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 114.648 -1.16 . . . . 25.0 111.699 174.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -128.02 -5.14 5.61 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 116.386 -0.37 . . . . 25.0 110.833 166.198 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 21.5 tp -157.22 167.02 31.58 Favored 'General case' 0 C--O 1.22 -0.466 0 N-CA-C 107.885 -1.154 . . . . 25.0 107.885 -176.469 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 36.3 ptt180 -78.66 -23.34 45.78 Favored 'General case' 0 C--O 1.206 -1.204 0 CA-C-N 119.083 0.856 . . . . 25.0 110.404 173.661 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -97.95 17.09 19.05 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 123.086 1.422 . . . . 25.0 109.302 -176.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -63.11 -34.98 78.78 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 113.32 -1.764 . . . . 25.0 110.841 176.798 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.0 t -145.7 100.33 3.41 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 105.714 -1.958 . . . . 25.0 105.714 175.422 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 25.3 t-80 -155.56 114.7 3.57 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.367 -0.975 . . . . 25.0 108.367 -168.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.8 mtm180 -104.02 125.25 50.24 Favored 'General case' 0 C--O 1.217 -0.622 0 CA-C-O 121.004 0.43 . . . . 25.0 109.964 -176.459 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 60.3 p -149.26 160.64 34.26 Favored Pre-proline 0 C--N 1.326 -0.441 0 N-CA-C 108.064 -1.087 . . . . 25.0 108.064 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -71.53 -15.96 30.65 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 117.13 -1.447 . . . . 25.0 113.048 178.009 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 75.3 mt -82.22 -7.52 59.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.463 0.649 . . . . 25.0 110.374 179.292 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 159.69 106.39 0.22 Allowed Glycine 0 N--CA 1.449 -0.461 0 N-CA-C 108.985 -1.646 . . . . 25.0 108.985 -177.596 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.6 t -97.32 118.11 33.05 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.636 0.732 . . . . 25.0 110.828 -177.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -125.55 137.61 53.93 Favored 'General case' 0 C--O 1.216 -0.704 0 N-CA-C 105.76 -1.941 . . . . 25.0 105.76 177.741 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 45.0 t -153.86 147.61 25.32 Favored 'General case' 0 CA--C 1.492 -1.286 0 N-CA-C 104.214 -2.513 . . . . 25.0 104.214 178.296 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -104.29 150.51 24.38 Favored 'General case' 0 C--N 1.312 -1.026 0 N-CA-C 107.848 -1.167 . . . . 50.0 107.848 176.539 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.72 132.66 55.18 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 106.193 -1.78 . . . . 25.0 106.193 178.384 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 38.9 mt -107.92 142.25 21.09 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.718 0 N-CA-C 103.368 -2.827 . . . . 25.0 103.368 175.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -124.12 149.93 45.67 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 106.836 -1.542 . . . . 25.0 106.836 -175.38 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 53.54 47.78 23.2 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 122.354 1.073 . . . . 25.0 108.88 -178.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -80.18 130.04 34.93 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.303 -1.317 . . . . 25.0 110.957 -176.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -105.69 91.07 4.72 Favored Pre-proline 0 C--N 1.324 -0.511 0 N-CA-C 108.709 -0.848 . . . . 25.0 108.709 177.228 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -66.66 -2.02 6.81 Favored 'Trans proline' 0 CA--C 1.534 0.52 0 N-CA-C 115.221 1.2 . . . . 25.0 115.221 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.9 t -99.38 -4.39 31.7 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 112.085 0.402 . . . . 25.0 112.085 176.202 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 60.8 mm-40 -139.87 -34.07 0.57 Allowed 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 114.341 1.237 . . . . 25.0 114.341 -173.396 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -82.47 175.21 10.39 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.314 0.578 . . . . 50.0 111.572 -171.753 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 39.4 tptt -144.45 146.13 32.28 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 122.153 -0.342 . . . . 25.0 110.262 -179.045 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 41.8 mt -127.09 121.19 57.29 Favored 'Isoleucine or valine' 0 C--O 1.243 0.727 0 CA-C-O 121.517 0.675 . . . . 25.0 110.31 178.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.34 122.52 30.42 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.082 -1.081 . . . . 25.0 108.082 176.011 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 26.9 m -131.67 16.95 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 CA-C-O 121.062 0.458 . . . . 25.0 112.233 -177.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.2 t -55.18 -38.73 68.72 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 114.65 1.352 . . . . 25.0 114.65 -173.648 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.15 -22.94 62.94 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 112.855 0.687 . . . . 25.0 112.855 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 23.4 mt -81.48 -59.26 2.68 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 106.364 -1.717 . . . . 25.0 106.364 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.602 0 CA-C-N 114.463 -1.244 . . . . 25.0 111.902 -178.461 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 . . . . . 0 N--CA 1.476 0.846 0 N-CA-C 112.049 0.389 . . . . 25.0 112.049 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 75.71 -1.07 59.55 Favored Glycine 0 N--CA 1.46 0.286 0 N-CA-C 117.297 1.679 . . . . 25.0 117.297 178.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.43 ' HA ' ' HB3' ' A' ' 119' ' ' TYR . 96.3 m-85 -136.77 160.13 39.78 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 117.634 0.717 . . . . 25.0 110.597 -178.009 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 52.98 49.13 20.87 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 113.007 0.744 . . . . 25.0 113.007 176.033 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 83.71 -0.98 89.35 Favored Glycine 0 N--CA 1.453 -0.202 0 N-CA-C 114.791 0.676 . . . . 25.0 114.791 176.722 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 34.6 p -100.23 159.0 15.46 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 107.467 -1.309 . . . . 25.0 107.467 179.492 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 74.9 mt -99.43 164.43 12.1 Favored 'General case' 0 C--O 1.215 -0.76 0 N-CA-C 113.375 0.88 . . . . 25.0 113.375 -171.177 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -132.37 121.28 23.24 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 105.384 -2.08 . . . . 25.0 105.384 169.692 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 7.3 p -109.6 142.33 22.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 N-CA-C 106.621 -1.622 . . . . 25.0 106.621 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 47.8 p -139.73 155.87 47.1 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 107.139 -1.43 . . . . 25.0 107.139 178.141 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 61.9 mt . . . . . 0 C--N 1.323 -0.572 0 N-CA-C 108.987 -0.745 . . . . 25.0 108.987 -174.846 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 56.2 mtt-85 . . . . . 0 CA--C 1.51 -0.581 0 N-CA-C 106.349 -1.722 . . . . 25.0 106.349 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 13.6 m -137.07 142.66 42.38 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.11 -1.07 . . . . 25.0 108.11 -177.301 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -131.74 140.37 49.24 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.168 -1.049 . . . . 25.0 108.168 178.494 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 83.9 mt -120.0 127.74 52.89 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.622 -0.881 . . . . 25.0 108.622 -178.121 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 4.2 tmtt? -124.07 147.9 47.51 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 106.451 -1.685 . . . . 25.0 106.451 -178.704 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 17.3 t -143.44 163.06 34.15 Favored 'General case' 0 C--O 1.241 0.623 0 N-CA-C 105.84 -1.911 . . . . 25.0 105.84 173.458 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' TYR . . . . . 0.43 ' HB3' ' HA ' ' A' ' 99' ' ' TYR . 88.9 t80 . . . . . 0 C--N 1.318 -0.777 0 N-CA-C 106.304 -1.739 . . . . 25.0 106.304 173.177 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 42.4 m . . . . . 0 C--O 1.235 0.323 0 N-CA-C 109.141 -0.689 . . . . 25.0 109.141 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -116.87 133.67 55.72 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.353 0.597 . . . . 25.0 110.98 -174.68 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -141.75 145.8 35.24 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.654 -0.869 . . . . 25.0 108.654 -171.378 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.8 mp -142.21 172.6 12.47 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 122.701 0.401 . . . . 25.0 110.836 -173.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -144.29 152.76 41.23 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 109.993 -0.373 . . . . 25.0 109.993 174.351 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 51.6 mt -132.07 149.01 52.52 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.091 -1.448 . . . . 25.0 107.091 177.586 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -143.39 158.15 43.87 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.017 -1.105 . . . . 25.0 108.017 174.673 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 71.48 24.84 76.37 Favored Glycine 0 C--O 1.224 -0.53 0 N-CA-C 109.813 -1.315 . . . . 25.0 109.813 -175.238 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -75.76 130.77 39.15 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.337 0.495 . . . . 25.0 112.337 -175.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -77.57 88.83 3.89 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.036 -0.727 . . . . 25.0 109.036 172.033 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -60.54 -30.88 70.03 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.519 -0.764 . . . . 25.0 109.649 177.443 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -60.25 -26.46 66.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.159 -0.928 . . . . 25.0 110.962 177.739 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 74.0 p -127.22 31.25 5.27 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 112.704 0.631 . . . . 25.0 112.704 178.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.5 pp -63.3 142.69 58.29 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 120.46 -0.496 . . . . 25.0 110.211 -177.541 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 46.8 t -156.08 148.76 23.92 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.965 0.412 . . . . 25.0 111.844 -176.158 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -83.04 -9.17 59.39 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 121.097 0.475 . . . . 25.0 110.462 176.342 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -65.02 -12.84 56.22 Favored Glycine 0 CA--C 1.519 0.334 0 N-CA-C 114.864 0.706 . . . . 25.0 114.864 -176.705 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 58.6 m-80 -67.28 -24.4 65.78 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.858 0.361 . . . . 25.0 111.811 179.107 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 64.7 mt -73.38 136.21 25.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 108.626 -0.879 . . . . 25.0 108.626 -176.365 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 9.9 p -56.31 -24.55 18.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 N-CA-C 114.34 1.237 . . . . 25.0 114.34 -177.699 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 . . . . . 0 C--N 1.328 -0.361 0 O-C-N 121.836 -0.54 . . . . 25.0 112.006 -179.643 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 . . . . . 0 N--CA 1.48 1.07 0 N-CA-C 113.488 0.922 . . . . 25.0 113.488 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -97.13 166.03 23.14 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.889 -0.672 . . . . 25.0 113.225 -178.199 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.8 t -107.53 -176.99 3.22 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 104.623 -2.362 . . . . 25.0 104.623 175.202 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -83.75 1.38 43.08 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 120.808 -1.182 . . . . 25.0 112.488 -179.211 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -84.1 -172.06 48.54 Favored Glycine 0 C--N 1.318 -0.453 0 N-CA-C 108.593 -1.803 . . . . 25.0 108.593 169.66 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 56.6 m-20 -82.81 135.46 34.95 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 118.649 1.225 . . . . 25.0 108.703 178.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -128.57 155.77 44.4 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 120.988 0.423 . . . . 50.0 111.977 -178.582 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 88.6 t -124.99 110.19 24.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 104.995 -2.224 . . . . 25.0 104.995 169.646 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.5 mt -118.91 130.68 55.86 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.057 -1.09 . . . . 25.0 108.057 -175.469 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.417 ' HA ' ' HB3' ' A' ' 29' ' ' ASP . 87.3 mt -134.12 128.8 53.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 107.626 -1.25 . . . . 25.0 107.626 -179.645 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -89.84 -172.44 45.12 Favored Glycine 0 C--N 1.329 0.161 0 CA-C-O 121.961 0.756 . . . . 25.0 114.589 -177.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.2 t -118.08 -169.91 1.78 Allowed 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.731 0.813 . . . . 25.0 110.339 -179.36 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -70.11 -29.04 65.89 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 114.087 1.144 . . . . 25.0 114.087 -176.076 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.7 m -70.38 162.73 3.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.567 -0.288 . . . . 25.0 110.494 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.26 137.79 25.56 Favored Glycine 0 C--O 1.229 -0.215 0 N-CA-C 109.917 -1.273 . . . . 25.0 109.917 177.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -141.45 162.4 35.57 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 121.371 0.605 . . . . 50.0 112.532 -172.501 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -125.04 118.74 26.86 Favored 'General case' 0 C--N 1.323 -0.543 0 N-CA-C 106.057 -1.831 . . . . 25.0 106.057 175.282 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 59.7 mt -128.26 126.32 65.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 110.138 -0.319 . . . . 25.0 110.138 -171.712 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 70.3 p -122.63 132.13 54.14 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 122.278 -0.264 . . . . 25.0 110.402 178.699 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -92.74 -24.58 22.9 Favored Glycine 0 CA--C 1.518 0.235 0 N-CA-C 115.738 1.055 . . . . 25.0 115.738 -176.595 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.82 -159.26 53.54 Favored Glycine 0 C--O 1.245 0.824 0 CA-C-N 118.164 0.982 . . . . 25.0 112.152 -178.041 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.79 179.88 3.44 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 121.645 -0.915 . . . . 25.0 109.605 178.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.0 168.87 40.58 Favored Glycine 0 C--O 1.244 0.739 0 C-N-CA 121.39 -0.433 . . . . 25.0 112.03 -178.559 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.405 ' HB3' HH12 ' A' ' 45' ' ' ARG . 46.4 m-20 -90.77 112.18 23.86 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 108.266 -1.012 . . . . 25.0 108.266 -178.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -121.08 165.37 15.41 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 114.292 1.219 . . . . 50.0 114.292 -171.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -117.32 135.08 54.1 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 104.803 -2.295 . . . . 25.0 104.803 164.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.5 mp -123.48 143.64 50.04 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 103.038 -2.949 . . . . 25.0 103.038 173.329 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.417 ' HB3' ' HA ' ' A' ' 11' ' ' ILE . 16.9 t0 -145.07 135.12 23.84 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 106.364 -1.717 . . . . 25.0 106.364 177.873 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -104.44 -24.17 7.61 Favored Glycine 0 N--CA 1.446 -0.657 0 O-C-N 123.363 0.414 . . . . 25.0 113.411 -175.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 63.04 -150.28 49.01 Favored Glycine 0 CA--C 1.526 0.765 0 C-N-CA 120.396 -0.907 . . . . 25.0 112.206 -175.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.33 170.62 12.75 Favored 'General case' 0 C--O 1.243 0.739 0 O-C-N 121.771 -0.84 . . . . 25.0 111.086 179.245 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 81.55 166.91 37.74 Favored Glycine 0 CA--C 1.515 0.089 0 N-CA-C 111.248 -0.741 . . . . 25.0 111.248 -178.272 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -84.1 130.16 34.87 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 106.206 -1.776 . . . . 25.0 106.206 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -132.89 152.95 51.79 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 112.783 0.66 . . . . 50.0 112.783 -173.087 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.5 mp -114.99 119.89 38.02 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.139 -1.06 . . . . 25.0 108.139 176.419 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.6 mp -121.61 131.57 54.19 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 111.646 0.239 . . . . 25.0 111.646 -176.487 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -121.79 110.62 16.13 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.13 0.572 . . . . 25.0 109.462 177.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -70.22 -36.98 71.5 Favored Glycine 0 C--O 1.244 0.729 0 C-N-CA 120.644 -0.789 . . . . 25.0 114.506 -175.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.97 -177.8 44.47 Favored Glycine 0 CA--C 1.523 0.586 0 CA-C-N 117.009 0.404 . . . . 25.0 112.58 -177.265 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.19 157.2 10.91 Favored 'General case' 0 CA--C 1.546 0.814 0 O-C-N 121.722 -0.869 . . . . 25.0 110.642 178.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.11 172.42 44.76 Favored Glycine 0 C--O 1.241 0.556 0 N-CA-C 109.989 -1.244 . . . . 25.0 109.989 -176.2 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.6 ptp85 -91.65 135.57 33.78 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 106.944 -1.502 . . . . 25.0 106.944 179.262 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -135.68 167.2 21.57 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.0 0.429 . . . . 50.0 112.145 -172.556 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.405 HH12 ' HB3' ' A' ' 25' ' ' ASP . 0.3 OUTLIER -125.26 108.99 12.28 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 105.707 -1.96 . . . . 25.0 105.707 178.73 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.5 mp -106.29 95.75 5.99 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 109.377 -0.601 . . . . 25.0 109.377 -173.618 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.413 ' HB ' ' HA ' ' A' ' 29' ' ' ASP . 18.1 m -88.07 114.45 24.7 Favored 'General case' 0 C--N 1.32 -0.681 0 O-C-N 121.95 -0.469 . . . . 25.0 110.182 -177.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -86.58 -41.71 6.76 Favored Glycine 0 CA--C 1.509 -0.313 0 C-N-CA 120.1 -1.047 . . . . 25.0 112.552 -178.664 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.07 -161.06 54.14 Favored Glycine 0 C--O 1.239 0.432 0 N-CA-C 111.127 -0.789 . . . . 25.0 111.127 -179.041 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.6 mt -62.67 155.97 24.84 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.327 0.584 . . . . 25.0 111.169 178.739 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.19 166.35 32.68 Favored Glycine 0 C--O 1.245 0.834 0 CA-C-N 115.087 -0.96 . . . . 25.0 112.197 -179.694 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -86.54 106.81 17.79 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 106.537 -1.653 . . . . 25.0 106.537 178.51 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -109.34 153.55 23.76 Favored 'General case' 0 C--N 1.313 -1.008 0 N-CA-C 109.478 -0.564 . . . . 50.0 109.478 -173.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.0 t -124.64 142.31 51.46 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.818 0.818 . . . . 25.0 109.244 172.499 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -118.78 120.9 38.75 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.799 -1.091 . . . . 25.0 108.257 -176.647 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -113.05 134.93 54.3 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.127 0.489 . . . . 25.0 111.468 -171.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -89.06 151.64 22.13 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.63 -0.878 . . . . 25.0 108.63 176.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -103.69 -48.21 4.01 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 112.946 0.721 . . . . 25.0 112.946 179.351 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.4 mp -132.57 165.95 23.21 Favored 'General case' 0 C--O 1.21 -1.023 0 N-CA-C 107.773 -1.195 . . . . 25.0 107.773 -176.163 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 38.1 ptt180 -63.64 -23.0 67.2 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 121.05 -1.031 . . . . 25.0 111.178 175.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -86.48 9.26 18.8 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.892 -0.594 . . . . 25.0 112.239 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -65.93 -30.85 71.5 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.392 -0.367 . . . . 25.0 110.355 177.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 58.9 p -148.05 123.28 10.22 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 109.664 -0.495 . . . . 25.0 109.664 178.322 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -155.52 153.21 29.87 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 108.524 -0.917 . . . . 25.0 108.524 -175.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 25.2 mtm180 -132.67 150.19 52.19 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 119.355 0.979 . . . . 25.0 108.617 175.196 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 85.1 p -152.9 168.0 12.28 Favored Pre-proline 0 C--N 1.321 -0.635 0 N-CA-C 108.706 -0.85 . . . . 25.0 108.706 -172.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -70.61 -11.53 29.88 Favored 'Trans proline' 0 C--N 1.352 0.75 0 C-N-CA 116.764 -1.691 . . . . 25.0 112.988 175.441 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 69.2 mt -81.11 -6.2 58.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.847 0.356 . . . . 25.0 110.392 177.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 136.73 170.6 11.98 Favored Glycine 0 C--O 1.24 0.507 0 N-CA-C 111.639 -0.584 . . . . 25.0 111.639 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.3 t -91.55 140.42 29.76 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.184 -0.673 . . . . 25.0 109.184 177.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -130.92 20.84 4.96 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 106.367 -1.716 . . . . 25.0 106.367 177.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 86.3 p -82.11 151.62 26.91 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 108.641 -0.874 . . . . 25.0 108.641 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -83.53 160.66 21.43 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.225 -0.657 . . . . 50.0 109.225 177.126 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.3 mp -119.81 128.67 53.92 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 104.438 -2.43 . . . . 25.0 104.438 170.31 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 52.5 mt -96.98 139.5 19.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 101.903 -3.369 . . . . 25.0 101.903 172.808 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -115.19 143.61 44.97 Favored 'General case' 0 C--N 1.311 -1.066 0 N-CA-C 108.709 -0.849 . . . . 25.0 108.709 -173.355 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 57.43 45.6 19.51 Favored 'General case' 0 C--O 1.243 0.752 0 O-C-N 124.59 1.181 . . . . 25.0 108.995 178.373 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -80.39 124.9 29.28 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.898 -1.047 . . . . 25.0 110.228 -178.128 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -101.01 98.07 8.02 Favored Pre-proline 0 C--N 1.317 -0.812 0 CA-C-N 114.961 -1.018 . . . . 25.0 108.817 178.603 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -64.58 -12.43 33.56 Favored 'Trans proline' 0 CA--C 1.536 0.612 0 N-CA-C 114.429 0.896 . . . . 25.0 114.429 179.329 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 48.3 t -85.22 -11.45 54.89 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 112.673 0.619 . . . . 25.0 112.673 176.053 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 90.6 mm-40 -134.94 -36.99 0.81 Allowed 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 114.451 1.278 . . . . 25.0 114.451 -172.006 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -87.77 161.83 17.36 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 113.315 0.858 . . . . 50.0 113.315 -169.041 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.5 tptt -131.39 154.42 48.65 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.227 -0.442 . . . . 25.0 111.901 -177.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 68.1 mt -127.62 115.52 40.08 Favored 'Isoleucine or valine' 0 C--O 1.241 0.618 0 CA-C-O 121.084 0.469 . . . . 25.0 110.268 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -95.48 108.37 20.59 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 123.316 0.646 . . . . 25.0 110.439 177.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.7 m -135.9 159.69 39.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 108.189 -1.041 . . . . 25.0 108.189 178.599 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 41.3 t -156.91 -62.59 0.1 Allowed 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 114.336 1.236 . . . . 25.0 114.336 178.076 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.88 14.23 0.3 Allowed 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 116.08 1.882 . . . . 25.0 116.08 -170.785 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 18.7 mt -83.55 -31.85 26.17 Favored 'General case' 0 C--O 1.216 -0.659 0 N-CA-C 106.466 -1.679 . . . . 25.0 106.466 176.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.447 0 N-CA-C 117.952 1.941 . . . . 25.0 117.952 171.316 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 . . . . . 0 N--CA 1.469 0.503 0 CA-C-O 120.678 0.275 . . . . 25.0 110.427 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 83.48 -0.84 89.45 Favored Glycine 0 N--CA 1.46 0.26 0 N-CA-C 115.941 1.136 . . . . 25.0 115.941 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.417 ' HA ' ' HB3' ' A' ' 119' ' ' TYR . 93.7 m-85 -142.67 156.01 44.99 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.632 -0.877 . . . . 25.0 108.632 -178.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 58.3 51.06 8.77 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 113.841 1.052 . . . . 25.0 113.841 177.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 77.68 16.54 80.01 Favored Glycine 0 CA--C 1.508 -0.394 0 C-N-CA 120.841 -0.695 . . . . 25.0 113.41 173.49 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 13.3 p -122.45 138.23 54.61 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 106.581 -1.636 . . . . 25.0 106.581 -178.754 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 36.3 mt -91.17 147.25 23.19 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 116.412 2.005 . . . . 25.0 116.412 -171.196 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -139.12 156.89 46.82 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 106.627 -1.62 . . . . 25.0 106.627 169.045 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 59.7 t -127.04 135.4 63.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 107.905 -1.146 . . . . 25.0 107.905 -177.773 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 84.5 p -130.28 157.11 43.41 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 107.123 -1.436 . . . . 25.0 107.123 176.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.6 mp . . . . . 0 C--N 1.323 -0.556 0 N-CA-C 110.041 -0.355 . . . . 25.0 110.041 -175.195 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 . . . . . 0 CA--C 1.501 -0.926 0 N-CA-C 107.227 -1.397 . . . . 25.0 107.227 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 29.4 m -136.2 146.71 47.11 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 107.894 -1.15 . . . . 25.0 107.894 -175.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -133.37 145.72 50.61 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.186 -1.042 . . . . 25.0 108.186 178.419 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 5.0 mp -123.11 128.63 50.36 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 107.137 -1.431 . . . . 25.0 107.137 -178.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -128.38 134.11 48.76 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.436 -0.347 . . . . 25.0 110.812 -175.39 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 20.8 t -120.14 -28.46 5.09 Favored 'General case' 0 N--CA 1.468 0.474 0 O-C-N 123.871 0.732 . . . . 25.0 111.747 176.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' TYR . . . . . 0.417 ' HB3' ' HA ' ' A' ' 99' ' ' TYR . 6.5 t80 . . . . . 0 N--CA 1.47 0.553 0 CA-C-O 122.164 0.983 . . . . 25.0 112.601 -177.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 68.8 p . . . . . 0 C--O 1.244 0.773 0 N-CA-C 116.563 2.06 . . . . 25.0 116.563 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -99.98 125.06 45.95 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 107.822 -1.177 . . . . 25.0 107.822 175.329 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -143.29 151.06 40.08 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 105.922 -1.881 . . . . 25.0 105.922 -177.16 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.2 mp -131.23 167.57 18.96 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 120.706 0.289 . . . . 25.0 111.293 -171.545 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -139.88 155.08 47.39 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.402 -0.592 . . . . 25.0 109.402 178.134 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.52 ' HB3' HD21 ' A' ' 135' ' ' ASN . 67.5 mt -136.61 155.58 49.72 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 106.197 -1.779 . . . . 25.0 106.197 176.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -145.3 153.38 41.21 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 107.584 -1.265 . . . . 25.0 107.584 -177.18 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 67.5 42.59 88.61 Favored Glycine 0 C--O 1.226 -0.355 0 N-CA-C 109.995 -1.242 . . . . 25.0 109.995 -177.046 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' ASN . . . . . 0.52 HD21 ' HB3' ' A' ' 132' ' ' LEU . 31.2 m120 -90.89 145.0 25.11 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 114.505 1.298 . . . . 25.0 114.505 -173.453 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 68.1 m80 -103.32 77.46 1.52 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.318 -1.31 . . . . 25.0 108.997 175.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -63.88 -25.49 68.18 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.662 -0.699 . . . . 25.0 109.871 178.666 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -62.14 -25.2 67.61 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 116.131 -0.486 . . . . 25.0 111.207 176.302 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 80.6 p -119.83 32.04 6.25 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 116.84 -0.164 . . . . 25.0 111.213 178.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.6 pp -56.81 154.93 8.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.785 0.802 . . . . 25.0 113.061 -175.752 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 42.1 t -149.63 151.99 34.68 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 107.375 -1.342 . . . . 25.0 107.375 179.473 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -92.04 -15.89 27.22 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.453 0.644 . . . . 25.0 109.988 177.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -85.3 26.13 5.83 Favored Glycine 0 C--O 1.225 -0.468 0 N-CA-C 115.481 0.953 . . . . 25.0 115.481 -174.5 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -66.06 -33.83 76.68 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.493 0.663 . . . . 25.0 111.297 -178.369 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -74.57 146.49 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.707 0.765 . . . . 25.0 112.432 -177.033 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 9.1 p -61.51 -19.58 21.08 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 CA-C-N 115.488 -0.778 . . . . 25.0 111.887 179.551 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 . . . . . 0 C--N 1.329 -0.298 0 O-C-N 122.296 -0.252 . . . . 25.0 111.556 179.261 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 . . . . . 0 N--CA 1.478 0.951 0 N-CA-C 114.226 1.195 . . . . 25.0 114.226 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -89.44 172.76 39.81 Favored Glycine 0 N--CA 1.451 -0.307 0 N-CA-C 110.88 -0.888 . . . . 25.0 110.88 176.598 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 68.7 p -80.42 -176.02 5.46 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.438 -0.949 . . . . 25.0 108.438 176.695 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -89.62 9.04 28.37 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 121.324 -0.86 . . . . 25.0 111.124 174.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -90.02 -154.62 29.97 Favored Glycine 0 CA--C 1.518 0.234 0 N-CA-C 109.122 -1.591 . . . . 25.0 109.122 173.185 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -94.83 125.03 39.21 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 107.773 -1.195 . . . . 25.0 107.773 176.55 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -130.88 155.16 47.22 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 121.142 0.496 . . . . 50.0 111.8 -175.006 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 84.0 t -124.86 115.3 43.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 106.142 -1.799 . . . . 25.0 106.142 173.052 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.8 mp -120.59 128.32 52.94 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.581 -0.896 . . . . 25.0 108.581 -179.232 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 37.8 mm -119.59 123.04 70.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 107.86 -1.163 . . . . 25.0 107.86 -178.204 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -83.38 154.47 31.47 Favored Glycine 0 N--CA 1.449 -0.482 0 CA-C-O 121.791 0.661 . . . . 25.0 113.537 -178.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 87.8 p -86.66 -178.72 6.44 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.083 -0.71 . . . . 25.0 109.083 177.612 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -76.4 -10.52 59.46 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 115.417 1.636 . . . . 25.0 115.417 -176.299 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.4 m -85.6 167.51 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 N-CA-C 108.779 -0.823 . . . . 25.0 108.779 176.311 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.97 136.42 24.1 Favored Glycine 0 CA--C 1.515 0.093 0 C-N-CA 120.461 -0.876 . . . . 25.0 111.574 179.152 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -142.94 163.42 32.84 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 117.405 0.603 . . . . 50.0 112.365 -174.551 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -118.33 118.27 31.34 Favored 'General case' 0 C--O 1.237 0.429 0 N-CA-C 105.642 -1.984 . . . . 25.0 105.642 171.086 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 54.7 mt -126.95 123.45 62.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 109.11 -0.7 . . . . 25.0 109.11 -174.357 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.3 p -116.59 140.88 48.89 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.835 -0.431 . . . . 25.0 109.835 179.273 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -95.75 -25.68 12.95 Favored Glycine 0 C--N 1.325 -0.077 0 C-N-CA 121.369 -0.443 . . . . 25.0 114.027 -178.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 73.06 -162.02 54.61 Favored Glycine 0 C--O 1.244 0.736 0 N-CA-C 111.395 -0.682 . . . . 25.0 111.395 -177.511 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.5 175.76 4.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 122.006 -0.703 . . . . 25.0 109.341 177.309 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.95 172.89 49.13 Favored Glycine 0 C--O 1.246 0.856 0 C-N-CA 121.274 -0.489 . . . . 25.0 113.3 179.635 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -86.72 112.19 21.42 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.879 -0.786 . . . . 25.0 108.879 -178.636 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -120.87 165.9 14.54 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 114.101 1.149 . . . . 50.0 114.101 -174.724 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -123.25 127.0 47.98 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 105.043 -2.206 . . . . 25.0 105.043 167.737 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -121.35 121.58 37.95 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 106.261 -1.755 . . . . 25.0 106.261 178.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -117.09 138.6 51.51 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 105.146 -2.168 . . . . 25.0 105.146 173.185 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -93.38 -28.34 11.72 Favored Glycine 0 C--N 1.319 -0.364 0 C-N-CA 121.289 -0.481 . . . . 25.0 112.564 -179.279 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 72.75 -163.37 54.84 Favored Glycine 0 C--O 1.245 0.814 0 N-CA-C 109.184 -1.566 . . . . 25.0 109.184 -174.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.1 175.82 7.12 Favored 'General case' 0 C--O 1.244 0.813 0 CA-C-N 118.002 0.901 . . . . 25.0 109.53 177.194 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.78 167.04 36.51 Favored Glycine 0 C--O 1.242 0.607 0 N-CA-C 110.165 -1.174 . . . . 25.0 110.165 -176.564 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -84.54 134.65 34.41 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 107.026 -1.472 . . . . 25.0 107.026 -179.222 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -136.7 152.98 50.98 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 114.214 1.19 . . . . 50.0 114.214 -171.675 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.9 mp -108.89 123.83 49.7 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 105.739 -1.949 . . . . 25.0 105.739 174.159 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.0 mp -124.31 107.27 10.98 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.064 0.459 . . . . 25.0 110.664 -177.71 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -99.84 104.81 16.5 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 108.656 -0.868 . . . . 25.0 108.656 -178.214 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -63.86 -41.84 98.64 Favored Glycine 0 C--O 1.247 0.938 0 C-N-CA 120.751 -0.738 . . . . 25.0 114.567 -174.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.49 175.94 44.09 Favored Glycine 0 C--O 1.238 0.358 0 N-CA-C 111.644 -0.582 . . . . 25.0 111.644 -178.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.29 154.99 7.34 Favored 'General case' 0 C--O 1.243 0.749 0 O-C-N 122.194 -0.592 . . . . 25.0 111.703 -179.11 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 87.39 168.57 44.82 Favored Glycine 0 C--O 1.24 0.512 0 N-CA-C 110.533 -1.027 . . . . 25.0 110.533 -176.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.2 ptp85 -82.92 145.18 29.55 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 107.301 -1.37 . . . . 25.0 107.301 179.199 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -140.7 169.26 17.98 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 120.579 0.228 . . . . 50.0 110.466 -174.401 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.6 120.69 28.71 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 104.874 -2.269 . . . . 25.0 104.874 177.376 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.6 mp -121.75 98.51 5.99 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.844 0.683 . . . . 25.0 112.844 -171.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -88.04 104.89 17.09 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 122.609 0.364 . . . . 25.0 110.692 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -72.13 -42.44 51.06 Favored Glycine 0 C--O 1.249 1.086 0 C-N-CA 119.817 -1.182 . . . . 25.0 113.265 -177.071 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.86 -163.01 53.88 Favored Glycine 0 C--O 1.241 0.556 0 N-CA-C 111.526 -0.63 . . . . 25.0 111.526 -178.738 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 86.5 mt -62.36 155.06 26.2 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-O 121.168 0.508 . . . . 25.0 111.299 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 90.37 168.09 42.31 Favored Glycine 0 C--O 1.246 0.878 0 CA-C-N 115.136 -0.938 . . . . 25.0 110.818 -178.102 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -84.77 128.03 34.41 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 106.322 -1.733 . . . . 25.0 106.322 177.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -122.84 147.65 46.31 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 109.389 -0.597 . . . . 50.0 109.389 -174.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.6 t -119.76 124.01 45.14 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 107.959 -1.126 . . . . 25.0 107.959 174.59 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -102.29 129.94 48.85 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 106.541 -1.652 . . . . 25.0 106.541 -177.573 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -124.66 145.22 49.77 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 116.674 2.101 . . . . 25.0 116.674 -168.555 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 43.1 p90 -81.52 160.2 23.97 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.052 -1.431 . . . . 25.0 108.29 169.246 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -125.81 -21.77 4.33 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 109.237 -0.653 . . . . 25.0 109.237 167.379 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.0 mp -135.97 172.06 13.56 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 107.264 -1.384 . . . . 25.0 107.264 179.431 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 41.6 ptt180 -78.21 -26.47 47.48 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 108.768 -0.827 . . . . 25.0 108.768 168.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -81.56 7.49 11.97 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 121.409 0.623 . . . . 25.0 111.085 178.482 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -66.07 -28.65 68.99 Favored 'General case' 0 C--O 1.242 0.695 0 CA-C-N 116.296 -0.411 . . . . 25.0 111.455 -179.343 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.401 ' HA ' ' HA ' ' A' ' 72' ' ' SER . 39.4 p -144.65 102.17 3.77 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 115.826 -0.624 . . . . 25.0 110.972 179.437 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 19.5 t60 -149.81 151.43 33.53 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.831 -0.803 . . . . 25.0 108.831 -177.423 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 31.9 mtm180 -132.82 147.67 52.31 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 119.286 0.948 . . . . 25.0 108.542 175.535 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.8 m -137.58 164.91 38.08 Favored Pre-proline 0 C--N 1.322 -0.598 0 N-CA-C 107.729 -1.212 . . . . 25.0 107.729 -174.377 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -69.14 -10.57 29.42 Favored 'Trans proline' 0 CA--C 1.536 0.602 0 C-N-CA 115.751 -2.366 . . . . 25.0 112.946 175.414 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.0 mp -78.45 -9.23 59.22 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 122.4 0.28 . . . . 25.0 110.955 175.56 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 137.69 173.66 13.03 Favored Glycine 0 N--CA 1.455 -0.087 0 N-CA-C 112.003 -0.439 . . . . 25.0 112.003 -179.029 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.4 t -83.62 143.98 29.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 122.19 -0.594 . . . . 25.0 109.684 178.156 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -134.73 23.52 3.64 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 105.07 -2.196 . . . . 25.0 105.07 174.56 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.401 ' HA ' ' HA ' ' A' ' 63' ' ' SER . 18.0 t -113.01 158.88 19.73 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-N 115.063 -0.971 . . . . 25.0 110.717 -175.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -86.23 155.25 20.78 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 114.867 -1.061 . . . . 50.0 112.418 -173.661 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 9.0 mp -117.16 121.91 42.6 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 104.28 -2.489 . . . . 25.0 104.28 173.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 31.5 mt -91.78 143.76 10.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 N-CA-C 102.777 -3.046 . . . . 25.0 102.777 176.605 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 60.0 mt -123.15 145.13 48.86 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 108.13 -1.063 . . . . 25.0 108.13 -173.634 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 53.07 44.99 29.66 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 122.129 0.966 . . . . 25.0 109.045 179.367 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -76.52 130.33 37.76 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.899 -1.046 . . . . 25.0 110.208 -177.191 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -102.47 94.05 4.62 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 115.72 -0.673 . . . . 25.0 109.594 177.476 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -69.67 4.79 1.95 Allowed 'Trans proline' 0 CA--C 1.537 0.653 0 N-CA-C 114.181 0.8 . . . . 25.0 114.181 176.61 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 20.2 t -95.08 -13.62 24.98 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 122.506 0.322 . . . . 25.0 110.711 174.376 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -141.03 -34.55 0.5 Allowed 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 115.929 1.826 . . . . 25.0 115.929 -173.114 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -84.97 156.76 21.03 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.589 0.589 . . . . 50.0 112.589 -169.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 39.5 tptt -123.56 149.73 44.9 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.23 0.612 . . . . 25.0 109.7 -176.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 25.8 mt -126.52 116.94 46.86 Favored 'Isoleucine or valine' 0 C--O 1.243 0.729 0 CA-C-O 121.042 0.449 . . . . 25.0 109.929 176.59 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -82.68 121.49 26.92 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 107.36 -1.348 . . . . 25.0 107.36 176.102 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 18.1 m -135.53 27.64 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 CA-C-O 121.865 0.841 . . . . 25.0 110.038 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.99 -25.61 67.73 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 114.855 1.428 . . . . 25.0 114.855 -174.323 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -75.36 -13.44 60.41 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 112.246 0.461 . . . . 25.0 112.246 177.715 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.7 mt -98.59 -36.6 9.84 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 106.924 -1.51 . . . . 25.0 106.924 -178.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.346 0 N-CA-C 117.301 1.68 . . . . 25.0 117.301 168.436 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 10.0 m120 . . . . . 0 N--CA 1.471 0.589 0 N-CA-C 114.31 1.226 . . . . 25.0 114.31 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.427 ' HA3' ' HB2' ' A' ' 104' ' ' ALA . . . 76.09 16.3 80.79 Favored Glycine 0 C--O 1.225 -0.41 0 N-CA-C 118.645 2.218 . . . . 25.0 118.645 175.228 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -147.38 160.42 42.56 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 118.467 1.133 . . . . 25.0 109.225 178.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 51.01 50.98 18.01 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 114.028 1.122 . . . . 25.0 114.028 173.663 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 79.93 17.62 74.37 Favored Glycine 0 N--CA 1.453 -0.186 0 C-N-CA 120.422 -0.894 . . . . 25.0 113.92 177.284 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 54.5 p -121.14 143.69 48.97 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 106.882 -1.525 . . . . 25.0 106.882 175.373 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 89.8 mt -85.58 161.62 19.22 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.267 0.556 . . . . 25.0 112.353 -176.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.427 ' HB2' ' HA3' ' A' ' 98' ' ' GLY . . . -131.73 157.31 44.13 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 101.71 -3.441 . . . . 25.0 101.71 166.048 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 11.5 p -124.46 151.08 29.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.172 -0.677 . . . . 25.0 109.172 -176.679 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 64.9 p -146.72 162.7 37.97 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 106.734 -1.58 . . . . 25.0 106.734 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 88.8 mt . . . . . 0 C--N 1.324 -0.512 0 N-CA-C 109.682 -0.488 . . . . 25.0 109.682 -178.024 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 4.6 mtp180 . . . . . 0 CA--C 1.511 -0.539 0 N-CA-C 108.849 -0.797 . . . . 25.0 108.849 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 28.1 m -135.28 138.14 43.2 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.711 -0.477 . . . . 25.0 109.711 -174.558 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -131.47 142.62 50.02 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.802 -0.814 . . . . 25.0 108.802 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.9 mp -127.24 146.55 50.38 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.604 -0.517 . . . . 25.0 109.604 -175.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 19.8 tttp -140.94 129.12 22.17 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 112.233 0.457 . . . . 25.0 112.233 -177.063 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 32.7 t -93.99 -14.49 25.85 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-O 121.565 0.697 . . . . 25.0 111.991 177.334 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.479 0.989 0 C-N-CA 125.53 1.532 . . . . 25.0 114.864 178.49 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 14.8 m . . . . . 0 C--O 1.238 0.491 0 N-CA-C 114.618 1.34 . . . . 25.0 114.618 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -76.28 129.46 36.69 Favored 'General case' 0 C--O 1.242 0.696 0 N-CA-C 104.474 -2.417 . . . . 25.0 104.474 166.331 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -144.09 150.58 38.37 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 107.409 -1.33 . . . . 25.0 107.409 -175.216 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.9 mp -135.39 162.43 32.64 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 109.594 -0.521 . . . . 25.0 109.594 -177.422 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -138.2 144.62 40.76 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 121.119 0.485 . . . . 25.0 111.731 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 65.5 mt -130.74 133.21 45.83 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.529 -1.285 . . . . 25.0 107.529 176.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -120.99 143.53 48.98 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 106.682 -1.599 . . . . 25.0 106.682 173.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 73.47 29.28 64.12 Favored Glycine 0 C--O 1.225 -0.464 0 N-CA-C 109.995 -1.242 . . . . 25.0 109.995 -178.666 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -79.03 124.74 28.56 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.55 -0.537 . . . . 25.0 109.55 -178.598 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 77.7 m80 -76.15 84.42 2.99 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.326 0.584 . . . . 25.0 110.241 177.363 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -60.87 -27.46 68.14 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.116 -0.698 . . . . 25.0 109.116 175.527 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -60.81 -27.47 68.06 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 115.739 -0.664 . . . . 25.0 111.38 176.412 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 76.5 p -125.35 34.45 4.94 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 111.598 0.222 . . . . 25.0 111.598 178.586 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.0 pp -62.48 150.03 41.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.645 0.736 . . . . 25.0 112.844 -175.256 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 29.3 t -155.5 147.14 23.06 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.396 -1.335 . . . . 25.0 107.396 175.688 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -99.34 -7.96 25.54 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.241 0.543 . . . . 25.0 110.722 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -74.18 -6.35 74.27 Favored Glycine 0 N--CA 1.46 0.26 0 C-N-CA 121.182 -0.533 . . . . 25.0 113.171 -178.625 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -76.46 -13.74 60.09 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.55 0.69 . . . . 25.0 111.881 -179.154 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 62.9 mt -80.97 144.28 10.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 N-CA-C 104.695 -2.335 . . . . 25.0 104.695 179.164 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 6.0 p -51.16 -27.3 5.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 N-CA-C 115.311 1.597 . . . . 25.0 115.311 -173.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 . . . . . 0 C--N 1.327 -0.387 0 N-CA-C 113.21 0.818 . . . . 25.0 113.21 -178.309 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.895 0 CA-C-O 120.714 0.292 . . . . 25.0 110.929 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -97.62 -166.14 32.06 Favored Glycine 0 C--O 1.227 -0.287 0 CA-C-O 121.749 0.638 . . . . 25.0 114.276 -175.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.433 HG23 ' H ' ' A' ' 6' ' ' GLY . 6.8 t -125.01 -173.91 2.92 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 104.889 -2.263 . . . . 25.0 104.889 176.461 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -84.85 4.07 34.95 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 120.895 -1.128 . . . . 25.0 113.367 -176.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.433 ' H ' HG23 ' A' ' 4' ' ' THR . . . -85.24 -169.97 46.6 Favored Glycine 0 C--N 1.321 -0.284 0 N-CA-C 109.138 -1.585 . . . . 25.0 109.138 171.128 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 64.0 m-20 -86.42 130.42 34.51 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 118.69 1.245 . . . . 25.0 108.078 177.362 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -127.53 156.45 42.19 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 112.838 0.681 . . . . 50.0 112.838 -175.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 97.7 t -124.82 116.72 48.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 104.214 -2.513 . . . . 25.0 104.214 168.088 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 45.9 mt -122.13 134.9 54.74 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.673 -0.862 . . . . 25.0 108.673 -173.571 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 73.9 mt -130.74 124.96 57.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 107.611 -1.255 . . . . 25.0 107.611 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -85.75 157.03 30.75 Favored Glycine 0 N--CA 1.45 -0.433 0 CA-C-O 121.599 0.555 . . . . 25.0 113.395 -178.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 89.0 p -83.85 -178.87 7.13 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 123.391 0.677 . . . . 25.0 109.79 177.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -73.26 -14.79 61.39 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 115.367 1.618 . . . . 25.0 115.367 -176.533 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.0 m -84.31 168.03 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 109.182 -0.673 . . . . 25.0 109.182 178.345 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.49 137.49 26.12 Favored Glycine 0 N--CA 1.453 -0.203 0 N-CA-C 110.813 -0.915 . . . . 25.0 110.813 177.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -143.35 167.24 22.63 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.059 0.457 . . . . 50.0 111.11 -174.471 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.0 tm0? -121.73 126.17 48.29 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 103.302 -2.851 . . . . 25.0 103.302 170.157 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 61.7 mt -128.63 121.31 54.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 108.223 -1.029 . . . . 25.0 108.223 -175.18 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 94.2 p -110.63 138.58 46.83 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.701 -0.852 . . . . 25.0 108.701 177.28 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -91.03 -25.68 23.85 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.867 -0.682 . . . . 25.0 111.849 178.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 71.65 -159.48 53.82 Favored Glycine 0 C--O 1.247 0.914 0 N-CA-C 110.768 -0.933 . . . . 25.0 110.768 -176.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.5 -179.87 3.71 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.731 -0.84 . . . . 25.0 108.731 176.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.2 169.03 41.2 Favored Glycine 0 C--O 1.242 0.634 0 C-N-CA 121.051 -0.595 . . . . 25.0 111.908 -178.007 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -92.88 112.94 25.08 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.129 -1.063 . . . . 25.0 108.129 -178.149 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -122.69 167.93 12.84 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 114.485 1.291 . . . . 50.0 114.485 -170.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 66.0 ttt180 -125.67 129.5 49.7 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 105.695 -1.965 . . . . 25.0 105.695 166.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.5 mp -122.08 126.16 47.8 Favored 'General case' 0 C--N 1.319 -0.717 0 N-CA-C 105.881 -1.896 . . . . 25.0 105.881 178.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -119.38 135.64 54.64 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 104.439 -2.43 . . . . 25.0 104.439 173.005 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -93.34 -25.21 19.6 Favored Glycine 0 C--N 1.32 -0.351 0 C-N-CA 121.466 -0.397 . . . . 25.0 113.386 -176.417 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 71.23 -160.04 53.98 Favored Glycine 0 C--O 1.246 0.896 0 N-CA-C 110.499 -1.041 . . . . 25.0 110.499 -176.313 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.21 172.81 10.43 Favored 'General case' 0 C--O 1.243 0.762 0 N-CA-C 109.567 -0.531 . . . . 25.0 109.567 178.103 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 83.09 165.42 37.7 Favored Glycine 0 C--O 1.241 0.542 0 N-CA-C 110.716 -0.954 . . . . 25.0 110.716 -177.548 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -84.84 126.62 33.61 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 106.851 -1.537 . . . . 25.0 106.851 -179.224 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -130.94 152.65 50.03 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 113.587 0.958 . . . . 50.0 113.587 -170.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.1 mp -108.25 130.78 55.15 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 106.367 -1.716 . . . . 25.0 106.367 172.822 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.5 mp -127.44 113.4 16.14 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.203 -0.295 . . . . 25.0 110.203 -176.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -106.45 108.7 20.34 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 122.701 0.4 . . . . 25.0 109.938 -178.571 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -67.91 -44.8 77.58 Favored Glycine 0 C--O 1.249 1.05 0 C-N-CA 120.684 -0.769 . . . . 25.0 114.827 -174.713 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.49 -173.51 54.97 Favored Glycine 0 C--O 1.245 0.79 0 O-C-N 122.395 -0.473 . . . . 25.0 112.154 -178.273 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.05 161.6 12.94 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 122.452 -0.44 . . . . 25.0 109.972 177.587 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 86.84 174.97 49.32 Favored Glycine 0 N--CA 1.461 0.309 0 N-CA-C 109.523 -1.431 . . . . 25.0 109.523 -176.019 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.3 ptp180 -100.01 132.37 45.4 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 107.9 -1.148 . . . . 25.0 107.9 179.033 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -132.64 165.98 23.19 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 116.061 -0.518 . . . . 50.0 111.686 -168.469 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.09 123.97 39.53 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 105.268 -2.123 . . . . 25.0 105.268 177.757 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.1 mp -119.95 94.59 4.44 Favored 'General case' 0 C--N 1.322 -0.595 0 O-C-N 123.271 0.357 . . . . 25.0 110.249 -173.486 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.4 m -88.11 110.65 20.82 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.388 -0.597 . . . . 25.0 109.388 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -77.5 -41.28 20.83 Favored Glycine 0 C--O 1.248 1.018 0 C-N-CA 119.578 -1.296 . . . . 25.0 113.313 -176.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.91 -161.39 54.03 Favored Glycine 0 C--O 1.24 0.518 0 N-CA-C 111.342 -0.703 . . . . 25.0 111.342 -177.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.5 mt -62.96 155.08 28.44 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 121.105 0.478 . . . . 25.0 111.256 179.414 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 92.18 167.96 40.14 Favored Glycine 0 C--O 1.246 0.851 0 CA-C-N 115.195 -0.911 . . . . 25.0 111.034 -178.584 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -84.57 123.55 30.43 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 106.455 -1.683 . . . . 25.0 106.455 178.137 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -118.77 139.26 51.87 Favored 'General case' 0 C--N 1.319 -0.752 0 O-C-N 122.096 -0.377 . . . . 50.0 110.932 -174.105 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 29.3 m -108.27 103.93 13.21 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.857 -0.794 . . . . 25.0 108.857 178.183 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -86.81 124.25 32.84 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 104.833 -2.284 . . . . 25.0 104.833 178.173 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 52.3 ttt-85 -132.12 150.89 52.04 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.685 0.755 . . . . 25.0 112.809 -168.659 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 53.6 p90 -77.01 158.91 30.3 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.858 -1.064 . . . . 25.0 108.897 172.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -124.04 -41.54 2.21 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 107.505 -1.294 . . . . 25.0 107.505 169.084 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -126.21 170.42 11.86 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 106.702 -1.592 . . . . 25.0 106.702 176.484 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 39.3 ptt180 -69.87 -14.84 62.93 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-O 122.023 0.916 . . . . 25.0 109.776 171.401 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -81.3 3.07 25.39 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.419 -0.81 . . . . 25.0 111.214 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.81 -33.04 74.79 Favored 'General case' 0 CA--C 1.514 -0.423 0 C-N-CA 120.56 -0.456 . . . . 25.0 111.368 -179.043 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.434 ' HA ' ' HA ' ' A' ' 72' ' ' SER . 18.5 m -151.0 93.08 1.89 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.412 0.625 . . . . 25.0 111.615 175.378 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -143.94 151.75 40.18 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 107.759 -1.2 . . . . 25.0 107.759 -176.003 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 76.1 mtt180 -126.82 147.2 50.04 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 118.706 0.684 . . . . 25.0 111.443 179.223 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 27.2 t -151.82 154.66 33.19 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 106.394 -1.706 . . . . 25.0 106.394 -175.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_endo -68.8 -14.62 39.39 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 116.201 -2.066 . . . . 25.0 112.561 175.285 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 81.2 mt -79.07 -7.3 58.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.041 0.448 . . . . 25.0 110.805 177.229 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 147.0 152.64 5.69 Favored Glycine 0 N--CA 1.449 -0.472 0 N-CA-C 111.353 -0.699 . . . . 25.0 111.353 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.4 t -100.38 143.22 30.83 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.657 -0.868 . . . . 25.0 108.657 179.112 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -124.27 10.4 8.66 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.659 -0.867 . . . . 25.0 108.659 179.006 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.434 ' HA ' ' HA ' ' A' ' 63' ' ' SER . 83.1 p -67.25 137.22 55.98 Favored 'General case' 0 CA--C 1.508 -0.653 0 N-CA-C 108.894 -0.78 . . . . 25.0 108.894 179.637 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -96.4 157.32 15.95 Favored 'General case' 0 C--N 1.318 -0.772 0 O-C-N 123.487 0.492 . . . . 50.0 110.715 -177.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.3 mp -115.09 124.9 52.75 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 105.427 -2.064 . . . . 25.0 105.427 174.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 67.0 mt -92.28 144.69 8.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 N-CA-C 102.479 -3.156 . . . . 25.0 102.479 173.694 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -123.52 141.21 52.23 Favored 'General case' 0 C--N 1.314 -0.963 0 O-C-N 124.023 0.827 . . . . 25.0 109.005 -173.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 54.92 50.36 15.74 Favored 'General case' 0 C--O 1.241 0.608 0 O-C-N 124.453 1.096 . . . . 25.0 109.323 177.706 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -77.89 129.42 35.35 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.473 -1.239 . . . . 25.0 111.553 -176.637 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -103.48 94.19 5.7 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.747 -0.661 . . . . 25.0 109.414 177.613 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -64.21 -15.69 50.85 Favored 'Trans proline' 0 CA--C 1.532 0.376 0 N-CA-C 114.518 0.93 . . . . 25.0 114.518 -179.381 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.6 t -81.07 -11.11 59.58 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 112.926 0.713 . . . . 25.0 112.926 177.23 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 -137.44 -37.55 0.62 Allowed 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 114.247 1.203 . . . . 25.0 114.247 -172.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -84.65 162.42 19.73 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.13 0.49 . . . . 50.0 112.278 -171.555 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 48.1 tptt -129.92 144.02 51.1 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 123.11 0.564 . . . . 25.0 109.818 -178.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 43.7 mt -123.57 112.97 35.38 Favored 'Isoleucine or valine' 0 C--O 1.242 0.666 0 N-CA-C 109.74 -0.467 . . . . 25.0 109.74 177.182 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -94.1 123.9 37.77 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 110.019 -0.363 . . . . 25.0 110.019 177.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 28.5 m -127.23 22.08 2.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 CA-C-O 121.331 0.586 . . . . 25.0 112.303 -177.671 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.7 t -59.49 -28.39 66.98 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 115.151 1.537 . . . . 25.0 115.151 -174.095 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -76.61 -13.59 60.05 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 112.678 0.621 . . . . 25.0 112.678 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 23.4 mt -87.67 -51.45 5.87 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 105.206 -2.146 . . . . 25.0 105.206 178.356 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.86 0 CA-C-N 114.252 -1.34 . . . . 25.0 114.056 174.91 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 . . . . . 0 N--CA 1.471 0.604 0 N-CA-C 110.062 -0.347 . . . . 25.0 110.062 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 81.81 -1.62 85.76 Favored Glycine 0 N--CA 1.461 0.306 0 N-CA-C 116.688 1.435 . . . . 25.0 116.688 179.603 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -140.37 154.87 46.88 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.955 0.378 . . . . 25.0 110.242 -178.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 56.23 50.34 13.61 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 114.203 1.186 . . . . 25.0 114.203 174.355 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 81.6 21.82 61.22 Favored Glycine 0 CA--C 1.508 -0.385 0 C-N-CA 120.709 -0.757 . . . . 25.0 112.425 173.525 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 14.6 p -130.96 140.1 50.12 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 105.899 -1.889 . . . . 25.0 105.899 179.545 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 49.8 mt -89.12 157.59 18.25 Favored 'General case' 0 C--O 1.216 -0.677 0 N-CA-C 115.968 1.84 . . . . 25.0 115.968 -170.559 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -136.74 154.99 50.43 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 104.641 -2.355 . . . . 25.0 104.641 168.359 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 9.2 p -128.56 153.21 37.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 108.595 -0.891 . . . . 25.0 108.595 -177.654 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 40.7 p -148.71 161.91 40.8 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 106.098 -1.816 . . . . 25.0 106.098 177.041 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 84.2 mt . . . . . 0 C--N 1.326 -0.447 0 N-CA-C 109.703 -0.481 . . . . 25.0 109.703 -176.506 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 87.9 mtt180 . . . . . 0 CA--C 1.514 -0.441 0 N-CA-C 108.417 -0.957 . . . . 25.0 108.417 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 28.0 m -134.18 141.84 47.21 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 108.423 -0.954 . . . . 25.0 108.423 -175.434 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -130.55 142.89 50.47 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.709 -0.849 . . . . 25.0 108.709 178.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 37.0 mt -126.57 142.45 51.53 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 109.868 -0.419 . . . . 25.0 109.868 -177.293 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 39.1 tttt -142.65 136.17 28.82 Favored 'General case' 0 C--O 1.218 -0.592 0 O-C-N 123.216 0.322 . . . . 25.0 111.119 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 30.5 t -115.11 -27.99 7.12 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 113.81 1.041 . . . . 25.0 113.81 179.226 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' TYR . . . . . 0.408 ' HA ' ' HB3' ' A' ' 127' ' ' SER . 6.4 t80 . . . . . 0 N--CA 1.48 1.034 0 CA-C-O 122.792 1.282 . . . . 25.0 111.777 -179.198 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.408 ' HB3' ' HA ' ' A' ' 119' ' ' TYR . 53.0 p . . . . . 0 C--O 1.241 0.655 0 N-CA-C 116.813 2.153 . . . . 25.0 116.813 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -88.72 129.58 35.51 Favored 'General case' 0 C--O 1.241 0.63 0 N-CA-C 104.472 -2.418 . . . . 25.0 104.472 164.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -144.82 145.23 31.54 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 106.179 -1.786 . . . . 25.0 106.179 -176.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.5 mp -131.02 169.76 15.41 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 122.528 0.331 . . . . 25.0 110.459 -174.306 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -147.03 154.09 40.79 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.841 -0.429 . . . . 25.0 109.841 175.597 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 56.2 mt -136.61 137.53 40.22 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 106.116 -1.809 . . . . 25.0 106.116 177.646 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -126.19 148.11 49.51 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 106.736 -1.579 . . . . 25.0 106.736 175.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 75.86 48.55 9.92 Favored Glycine 0 C--O 1.228 -0.249 0 N-CA-C 110.421 -1.071 . . . . 25.0 110.421 -178.263 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -87.08 126.98 35.11 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.944 0.72 . . . . 25.0 112.944 -175.701 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 75.2 m80 -82.29 69.63 9.07 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 107.37 -1.344 . . . . 25.0 107.37 167.056 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -61.6 -27.76 68.87 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.567 -0.742 . . . . 25.0 109.935 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.15 -25.62 67.13 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.93 -0.577 . . . . 25.0 111.388 176.759 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 82.7 p -123.44 29.84 6.49 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 111.814 0.302 . . . . 25.0 111.814 179.416 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.8 pp -61.17 156.6 17.95 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.383 0.611 . . . . 25.0 112.138 -176.643 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 44.8 t -149.34 155.09 39.95 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.858 -0.61 . . . . 25.0 109.472 -178.763 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -95.85 -10.76 28.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.565 0.697 . . . . 25.0 109.426 175.43 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -76.94 -17.26 80.01 Favored Glycine 0 CA--C 1.516 0.107 0 CA-C-N 115.948 -0.569 . . . . 25.0 114.289 -175.671 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -79.13 -2.31 40.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 122.327 -0.514 . . . . 25.0 112.113 -178.796 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 16.1 mt -89.38 152.43 3.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 106.511 -1.663 . . . . 25.0 106.511 178.336 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 7.4 p -50.12 -29.0 5.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 N-CA-C 115.025 1.491 . . . . 25.0 115.025 -177.103 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 . . . . . 0 C--N 1.326 -0.428 0 N-CA-C 113.076 0.769 . . . . 25.0 113.076 -176.875 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 . . . . . 0 N--CA 1.479 1.008 0 N-CA-C 113.343 0.868 . . . . 25.0 113.343 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -111.83 -175.62 19.94 Favored Glycine 0 N--CA 1.453 -0.229 0 N-CA-C 111.765 -0.534 . . . . 25.0 111.765 -179.324 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 13.7 t -133.32 -179.58 5.6 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 106.608 -1.627 . . . . 25.0 106.608 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -77.65 128.24 33.77 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 107.653 -1.24 . . . . 25.0 107.653 177.032 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 128.88 -178.28 17.35 Favored Glycine 0 C--O 1.229 -0.172 0 N-CA-C 105.995 -2.842 . . . . 25.0 105.995 -169.81 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 27.8 m-20 -88.13 127.44 35.42 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 119.106 1.453 . . . . 25.0 110.246 -177.771 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -122.67 153.39 39.44 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 121.057 0.456 . . . . 50.0 111.572 -179.562 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 74.5 t -124.09 112.17 31.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 104.287 -2.486 . . . . 25.0 104.287 169.737 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.4 mt -121.69 135.41 54.96 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.236 -0.654 . . . . 25.0 109.236 -173.594 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 68.2 mt -130.69 123.54 54.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 108.022 -1.103 . . . . 25.0 108.022 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -88.26 160.78 30.95 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-O 121.652 0.584 . . . . 25.0 113.696 -178.75 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 18.6 t -87.28 -179.63 6.45 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 123.297 0.639 . . . . 25.0 110.03 178.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -77.5 -10.98 59.79 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 113.406 0.891 . . . . 25.0 113.406 -178.28 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 26.8 m -81.87 165.84 2.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 108.811 -0.811 . . . . 25.0 108.811 176.503 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.53 138.5 26.25 Favored Glycine 0 CA--C 1.518 0.272 0 N-CA-C 110.722 -0.951 . . . . 25.0 110.722 177.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -143.7 167.45 22.24 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.518 0.675 . . . . 50.0 112.308 -173.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -127.11 115.61 19.42 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 105.377 -2.082 . . . . 25.0 105.377 173.319 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 40.2 mt -129.17 116.77 41.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.372 0.605 . . . . 25.0 110.201 -173.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.6 p -104.83 137.3 42.83 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.138 -0.483 . . . . 25.0 110.001 178.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -91.02 -28.8 14.16 Favored Glycine 0 CA--C 1.519 0.294 0 N-CA-C 114.691 0.636 . . . . 25.0 114.691 -177.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.18 -164.4 54.42 Favored Glycine 0 C--O 1.243 0.7 0 C-N-CA 120.894 -0.67 . . . . 25.0 112.755 -178.086 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.35 169.1 17.0 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 121.994 -0.709 . . . . 25.0 109.349 177.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.66 166.68 41.15 Favored Glycine 0 C--O 1.24 0.502 0 CA-C-N 116.035 -0.529 . . . . 25.0 112.091 -179.517 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -83.58 113.08 20.58 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 107.829 -1.175 . . . . 25.0 107.829 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -119.31 163.38 17.24 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.649 0.611 . . . . 50.0 112.649 -173.316 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.6 ttt85 -130.05 124.37 32.69 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 105.169 -2.16 . . . . 25.0 105.169 169.543 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.5 mp -123.9 130.41 52.55 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 107.652 -1.24 . . . . 25.0 107.652 -177.829 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -116.49 137.24 52.33 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 104.751 -2.314 . . . . 25.0 104.751 170.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -96.02 -27.16 10.47 Favored Glycine 0 C--O 1.228 -0.261 0 C-N-CA 121.42 -0.419 . . . . 25.0 112.301 -178.131 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 73.86 -166.46 54.69 Favored Glycine 0 C--O 1.244 0.737 0 N-CA-C 110.935 -0.866 . . . . 25.0 110.935 -177.042 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.4 176.31 5.44 Favored 'General case' 0 C--O 1.246 0.918 0 O-C-N 122.114 -0.639 . . . . 25.0 109.727 177.623 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 81.81 164.45 33.61 Favored Glycine 0 C--O 1.239 0.439 0 N-CA-C 110.078 -1.209 . . . . 25.0 110.078 -177.005 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -81.48 131.72 35.29 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 107.098 -1.445 . . . . 25.0 107.098 -179.464 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -133.07 150.21 52.11 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 113.908 1.077 . . . . 50.0 113.908 -172.735 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.6 mp -111.07 126.43 54.81 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 106.724 -1.584 . . . . 25.0 106.724 176.207 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.7 mp -130.22 130.48 44.69 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.144 0.424 . . . . 25.0 112.144 -176.542 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -112.01 126.36 55.07 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 109.61 -0.515 . . . . 25.0 109.61 177.264 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -78.89 -52.85 4.78 Favored Glycine 0 C--O 1.249 1.038 0 C-N-CA 120.36 -0.924 . . . . 25.0 114.519 -177.646 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.92 -178.57 53.73 Favored Glycine 0 C--O 1.247 0.941 0 O-C-N 122.155 -0.615 . . . . 25.0 112.571 -178.577 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.56 160.73 16.01 Favored 'General case' 0 C--O 1.241 0.613 0 N-CA-C 109.447 -0.575 . . . . 25.0 109.447 177.452 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 87.21 168.77 45.11 Favored Glycine 0 N--CA 1.462 0.368 0 N-CA-C 109.38 -1.488 . . . . 25.0 109.38 -175.564 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.2 ptp85 -92.04 133.13 36.01 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 107.474 -1.306 . . . . 25.0 107.474 179.409 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -129.23 161.94 29.02 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.16 0.505 . . . . 50.0 111.533 -170.674 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -128.03 121.89 30.87 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 104.174 -2.528 . . . . 25.0 104.174 178.29 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.4 mp -124.82 99.78 6.31 Favored 'General case' 0 C--N 1.321 -0.631 0 O-C-N 123.366 0.416 . . . . 25.0 111.286 -173.435 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 16.7 m -87.97 112.56 22.72 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.706 -0.479 . . . . 25.0 109.706 -179.481 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -77.92 -43.37 14.33 Favored Glycine 0 C--O 1.24 0.521 0 C-N-CA 119.843 -1.17 . . . . 25.0 111.61 -178.715 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.38 -160.94 53.55 Favored Glycine 0 C--O 1.238 0.378 0 N-CA-C 111.077 -0.809 . . . . 25.0 111.077 -179.151 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 76.8 mt -62.05 153.84 28.57 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.123 0.487 . . . . 25.0 111.134 178.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 92.4 167.22 39.54 Favored Glycine 0 C--O 1.241 0.569 0 CA-C-N 115.209 -0.905 . . . . 25.0 111.046 -178.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -82.92 128.69 34.68 Favored 'General case' 0 C--O 1.218 -0.564 0 N-CA-C 106.29 -1.745 . . . . 25.0 106.29 177.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -126.14 145.34 50.4 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.874 -0.417 . . . . 50.0 109.874 -175.442 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.7 t -117.61 129.78 55.97 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 108.708 -0.849 . . . . 25.0 108.708 176.258 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -111.93 109.64 19.54 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 105.982 -1.859 . . . . 25.0 105.982 -178.32 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 59.9 ttt180 -112.79 145.82 39.91 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.81 -0.632 . . . . 25.0 111.987 -170.274 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 26.2 p90 -74.03 144.51 45.06 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 107.736 -1.209 . . . . 25.0 107.736 174.395 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -103.61 -39.97 6.5 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 106.494 -1.669 . . . . 25.0 106.494 170.317 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -128.34 161.11 30.2 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 106.698 -1.593 . . . . 25.0 106.698 175.499 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 7.6 ptt85 -64.45 -22.34 66.93 Favored 'General case' 0 C--O 1.215 -0.727 0 CA-C-O 121.463 0.649 . . . . 25.0 110.364 175.002 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -81.89 1.04 36.96 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.978 -0.556 . . . . 25.0 112.395 -175.549 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -61.21 -30.92 70.72 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.804 0.668 . . . . 25.0 112.804 -176.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 40.5 p -118.55 22.88 11.83 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 122.257 1.027 . . . . 25.0 112.325 -176.772 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 46.9 t-80 -89.67 145.64 25.08 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 115.356 -0.838 . . . . 25.0 112.853 -172.609 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -128.38 157.31 41.38 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 109.295 -0.632 . . . . 25.0 109.295 176.181 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 75.4 p -149.3 165.69 17.06 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 107.383 -1.34 . . . . 25.0 107.383 -178.534 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -70.27 -13.74 33.71 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 116.201 -2.066 . . . . 25.0 112.604 175.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 80.1 mt -83.16 -1.79 53.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.152 0.501 . . . . 25.0 110.3 177.557 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 143.27 151.82 5.55 Favored Glycine 0 N--CA 1.449 -0.49 0 CA-C-O 121.881 0.711 . . . . 25.0 112.959 178.222 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.94 130.95 34.78 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 107.994 -1.113 . . . . 25.0 107.994 176.386 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -120.66 14.12 11.73 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.887 -0.783 . . . . 25.0 108.887 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 89.7 p -73.63 169.17 17.83 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.079 -0.964 . . . . 25.0 109.069 179.411 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -111.96 158.3 19.67 Favored 'General case' 0 CA--C 1.51 -0.576 0 N-CA-C 113.032 0.753 . . . . 50.0 113.032 -175.841 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 9.6 mp -115.01 131.7 56.84 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 105.803 -1.925 . . . . 25.0 105.803 174.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 55.8 mt -104.43 144.32 14.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 N-CA-C 104.216 -2.512 . . . . 25.0 104.216 176.209 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -124.45 150.39 45.73 Favored 'General case' 0 C--N 1.316 -0.874 0 C-N-CA 123.421 0.688 . . . . 25.0 109.544 -174.571 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 53.49 50.36 17.52 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-O 122.12 0.962 . . . . 25.0 109.818 178.394 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -83.98 129.63 34.91 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.671 -1.15 . . . . 25.0 112.131 -175.495 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -102.33 101.09 17.67 Favored Pre-proline 0 C--N 1.324 -0.502 0 N-CA-C 108.997 -0.742 . . . . 25.0 108.997 177.623 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -68.22 -7.56 20.36 Favored 'Trans proline' 0 N--CA 1.474 0.336 0 N-CA-C 115.265 1.217 . . . . 25.0 115.265 -177.424 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 42.1 t -94.43 -9.93 34.05 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 111.965 0.357 . . . . 25.0 111.965 177.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -136.22 -34.56 0.79 Allowed 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 114.795 1.406 . . . . 25.0 114.795 -171.454 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -83.22 156.96 22.89 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.373 0.606 . . . . 50.0 111.791 -171.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 33.6 tptt -127.76 144.01 51.11 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.98 -0.555 . . . . 25.0 111.423 -175.527 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 73.4 mt -123.11 113.05 36.23 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 N-CA-C 109.026 -0.731 . . . . 25.0 109.026 178.43 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -97.66 108.67 21.43 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.622 -0.717 . . . . 25.0 109.716 -179.436 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.6 m -133.0 32.07 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 CA-C-O 122.178 0.99 . . . . 25.0 110.105 -177.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.23 -21.41 59.51 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 114.874 1.435 . . . . 25.0 114.874 -176.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.67 -20.56 64.45 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 113.515 0.931 . . . . 25.0 113.515 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 11.0 mt -88.96 -41.4 12.41 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.786 0.803 . . . . 25.0 109.067 -176.028 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.534 0 CA-C-N 113.854 -1.521 . . . . 25.0 112.347 178.181 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 . . . . . 0 N--CA 1.469 0.504 0 CA-C-O 120.773 0.321 . . . . 25.0 110.364 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 82.68 -1.24 88.44 Favored Glycine 0 N--CA 1.459 0.224 0 N-CA-C 115.46 0.944 . . . . 25.0 115.46 -178.329 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -137.38 154.52 49.99 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.677 -0.49 . . . . 25.0 109.677 -179.448 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 57.3 48.22 15.36 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 114.24 1.2 . . . . 25.0 114.24 175.595 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 76.83 30.26 56.22 Favored Glycine 0 C--O 1.237 0.291 0 C-N-CA 120.573 -0.823 . . . . 25.0 112.234 173.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 18.5 p -134.19 141.78 47.18 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 105.042 -2.207 . . . . 25.0 105.042 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 31.8 mt -89.41 151.5 22.0 Favored 'General case' 0 C--O 1.215 -0.744 0 N-CA-C 115.947 1.832 . . . . 25.0 115.947 -170.551 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -133.04 149.26 52.2 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 104.677 -2.342 . . . . 25.0 104.677 166.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 7.2 p -131.41 150.82 34.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 109.465 -0.569 . . . . 25.0 109.465 -175.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 35.7 m -143.0 157.08 44.88 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 105.948 -1.871 . . . . 25.0 105.948 177.489 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 95.8 mt . . . . . 0 C--N 1.321 -0.632 0 N-CA-C 110.015 -0.365 . . . . 25.0 110.015 -178.41 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 . . . . . 0 CA--C 1.513 -0.459 0 N-CA-C 108.556 -0.905 . . . . 25.0 108.556 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 33.3 m -135.35 141.86 45.65 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.93 -0.767 . . . . 25.0 108.93 -173.19 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -130.33 138.72 50.58 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 107.692 -1.225 . . . . 25.0 107.692 -178.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.6 mp -128.19 144.71 51.14 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.524 0.202 . . . . 25.0 111.189 -176.407 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 46.1 mmtt -127.44 153.93 45.68 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 106.296 -1.742 . . . . 25.0 106.296 179.42 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 18.8 t -149.93 -32.14 0.2 Allowed 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 115.166 1.543 . . . . 25.0 115.166 177.682 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' TYR . . . . . 0.422 ' HA ' ' HA ' ' A' ' 127' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.477 0.903 0 CA-C-O 122.518 1.152 . . . . 25.0 109.876 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.422 ' HA ' ' HA ' ' A' ' 119' ' ' TYR . 18.9 t . . . . . 0 CA--C 1.516 -0.351 0 CA-C-O 121.343 0.592 . . . . 25.0 110.508 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -140.26 151.65 45.29 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 106.019 -1.845 . . . . 25.0 106.019 178.017 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -141.18 150.26 42.51 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.554 -0.906 . . . . 25.0 108.554 179.261 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 5.5 mp -128.01 159.73 34.11 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.267 -1.012 . . . . 25.0 108.267 178.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -142.38 149.21 39.08 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.03 -1.1 . . . . 25.0 108.03 177.207 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 36.9 mt -135.11 138.82 44.15 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 105.623 -1.991 . . . . 25.0 105.623 179.403 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -126.71 150.44 49.04 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 106.275 -1.75 . . . . 25.0 106.275 176.455 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 73.25 46.41 27.08 Favored Glycine 0 C--O 1.228 -0.227 0 C-N-CA 120.129 -1.034 . . . . 25.0 110.754 -179.276 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 57.6 m-80 -89.19 135.95 33.28 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 113.982 1.104 . . . . 25.0 113.982 -174.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 70.2 m80 -84.16 64.83 8.46 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 107.3 -1.371 . . . . 25.0 107.3 166.78 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -62.49 -26.12 68.37 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 115.983 -0.553 . . . . 25.0 110.318 -179.066 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -62.24 -24.65 67.37 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 115.997 -0.547 . . . . 25.0 111.516 176.656 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 70.4 p -121.77 29.43 7.14 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 120.51 0.195 . . . . 25.0 111.518 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.1 pp -57.94 149.93 21.73 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.674 0.749 . . . . 25.0 112.283 -176.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 30.5 t -154.11 155.03 34.65 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 106.926 -1.509 . . . . 25.0 106.926 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -90.57 2.92 55.36 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 120.834 0.349 . . . . 25.0 111.017 -179.55 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -63.01 -14.79 54.57 Favored Glycine 0 CA--C 1.521 0.423 0 N-CA-C 115.67 1.028 . . . . 25.0 115.67 -176.548 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -65.35 -23.23 66.94 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 113.464 0.913 . . . . 25.0 113.464 -178.167 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 67.0 mt -72.83 125.15 31.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 120.903 0.382 . . . . 25.0 110.889 -170.076 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 10.8 p -60.7 -27.6 41.1 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 N-CA-C 113.296 0.85 . . . . 25.0 113.296 -178.608 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 . . . . . 0 C--N 1.325 -0.477 0 N-CA-C 111.596 0.221 . . . . 25.0 111.596 179.389 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.6 pm0 . . . . . 0 CA--C 1.519 -0.216 0 N-CA-C 106.036 -1.838 . . . . 25.0 106.036 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -107.76 -168.6 21.68 Favored Glycine 0 C--O 1.229 -0.187 0 O-C-N 123.448 0.467 . . . . 25.0 113.791 -176.697 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.443 HG23 ' H ' ' A' ' 6' ' ' GLY . 6.6 t -124.2 -175.27 3.2 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 105.479 -2.045 . . . . 25.0 105.479 177.731 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -81.94 3.26 27.07 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 120.837 -1.164 . . . . 25.0 113.054 -177.513 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.443 ' H ' HG23 ' A' ' 4' ' ' THR . . . -85.37 -166.53 42.03 Favored Glycine 0 CA--C 1.52 0.402 0 N-CA-C 109.438 -1.465 . . . . 25.0 109.438 171.19 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 61.2 m-20 -86.83 132.93 33.7 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 118.352 1.076 . . . . 25.0 108.499 177.796 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -128.67 149.14 50.8 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 120.88 0.371 . . . . 50.0 111.79 -178.219 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 97.8 t -125.86 112.6 31.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 104.779 -2.304 . . . . 25.0 104.779 171.478 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 89.6 mt -121.61 147.97 45.15 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.738 0.304 . . . . 25.0 111.254 -174.569 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 41.2 mm -125.68 132.37 70.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 106.066 -1.828 . . . . 25.0 106.066 178.385 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -85.87 177.26 49.53 Favored Glycine 0 C--O 1.227 -0.324 0 C-N-CA 121.027 -0.606 . . . . 25.0 111.954 179.12 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 72.7 p -117.44 178.56 4.34 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.312 -0.996 . . . . 25.0 108.312 179.222 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -71.82 -19.9 61.92 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 114.549 1.314 . . . . 25.0 114.549 -175.261 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.8 m -79.6 166.1 2.64 Favored 'Isoleucine or valine' 0 C--O 1.24 0.592 0 N-CA-C 109.418 -0.586 . . . . 25.0 109.418 178.743 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.75 138.23 26.87 Favored Glycine 0 N--CA 1.452 -0.26 0 N-CA-C 110.269 -1.133 . . . . 25.0 110.269 177.43 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -140.44 159.47 42.12 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.409 0.623 . . . . 50.0 112.455 -174.538 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -118.78 108.57 15.02 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 104.952 -2.24 . . . . 25.0 104.952 172.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 78.7 mt -115.41 124.54 72.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 108.77 -0.826 . . . . 25.0 108.77 -172.802 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 57.3 p -116.37 133.16 56.33 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.262 0.553 . . . . 25.0 110.315 179.4 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -91.96 -29.38 11.72 Favored Glycine 0 C--O 1.228 -0.245 0 CA-C-N 115.932 -0.576 . . . . 25.0 112.864 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.48 -157.42 53.49 Favored Glycine 0 C--O 1.243 0.691 0 C-N-CA 120.956 -0.64 . . . . 25.0 111.769 -178.089 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.52 -179.41 2.99 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 121.788 -0.83 . . . . 25.0 109.351 177.582 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.77 168.08 36.14 Favored Glycine 0 C--O 1.244 0.751 0 C-N-CA 121.111 -0.566 . . . . 25.0 112.208 -178.428 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.447 ' HB3' HH12 ' A' ' 45' ' ' ARG . 39.1 m-20 -88.43 114.2 24.8 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.539 -0.911 . . . . 25.0 108.539 -178.526 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -118.88 162.52 18.36 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 113.749 1.018 . . . . 50.0 113.749 -173.513 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.7 ttp180 -129.23 116.55 19.33 Favored 'General case' 0 CA--C 1.508 -0.642 0 N-CA-C 104.797 -2.298 . . . . 25.0 104.797 169.618 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 71.5 mt -112.91 147.37 37.2 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 108.446 -0.946 . . . . 25.0 108.446 -176.017 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -142.7 137.76 30.09 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 104.851 -2.277 . . . . 25.0 104.851 175.418 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -101.05 -21.86 11.39 Favored Glycine 0 N--CA 1.449 -0.438 0 O-C-N 123.359 0.412 . . . . 25.0 112.23 -178.303 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 66.16 -156.67 49.94 Favored Glycine 0 C--O 1.242 0.598 0 C-N-CA 120.78 -0.724 . . . . 25.0 111.448 -176.11 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.96 172.88 10.12 Favored 'General case' 0 C--O 1.241 0.638 0 O-C-N 121.949 -0.736 . . . . 25.0 110.532 178.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.97 166.82 36.52 Favored Glycine 0 C--O 1.234 0.11 0 N-CA-C 110.61 -0.996 . . . . 25.0 110.61 -177.679 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -84.06 132.9 34.68 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 107.705 -1.22 . . . . 25.0 107.705 -178.782 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -135.83 154.74 51.09 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 114.458 1.281 . . . . 50.0 114.458 -171.734 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.4 mp -113.11 129.04 56.64 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 106.521 -1.659 . . . . 25.0 106.521 173.756 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.1 mp -126.1 106.98 9.97 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.914 0.388 . . . . 25.0 110.992 -178.759 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -95.13 107.99 20.08 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 108.863 -0.791 . . . . 25.0 108.863 -178.36 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -67.96 -47.73 58.36 Favored Glycine 0 C--O 1.248 0.984 0 N-CA-C 115.542 0.977 . . . . 25.0 115.542 -174.242 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.29 -176.84 53.96 Favored Glycine 0 C--O 1.236 0.256 0 O-C-N 122.313 -0.522 . . . . 25.0 113.003 -178.377 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.12 161.9 12.63 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 122.043 -0.68 . . . . 25.0 110.309 178.262 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.01 167.74 42.4 Favored Glycine 0 C--O 1.241 0.575 0 N-CA-C 110.483 -1.047 . . . . 25.0 110.483 -177.763 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.6 ptp85 -88.32 125.78 34.86 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 106.736 -1.579 . . . . 25.0 106.736 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -127.24 162.75 25.47 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 121.147 0.499 . . . . 50.0 111.367 -172.259 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.447 HH12 ' HB3' ' A' ' 25' ' ' ASP . 1.0 OUTLIER -127.53 123.04 34.9 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 103.891 -2.633 . . . . 25.0 103.891 177.782 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.1 mp -121.76 115.85 23.43 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.694 -0.484 . . . . 25.0 109.694 -172.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.4 m -108.12 117.32 33.84 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.925 -0.769 . . . . 25.0 108.925 -178.174 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -80.76 -39.0 14.68 Favored Glycine 0 C--O 1.237 0.343 0 C-N-CA 119.608 -1.282 . . . . 25.0 113.885 -176.519 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.34 -166.26 54.22 Favored Glycine 0 C--O 1.242 0.611 0 N-CA-C 110.652 -0.979 . . . . 25.0 110.652 -176.477 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.6 mt -65.44 156.82 31.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 122.521 -0.399 . . . . 25.0 109.945 177.253 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 93.46 168.97 38.76 Favored Glycine 0 C--O 1.245 0.811 0 N-CA-C 110.804 -0.918 . . . . 25.0 110.804 -178.332 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.89 125.5 32.06 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 106.779 -1.563 . . . . 25.0 106.779 178.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -125.14 145.96 49.71 Favored 'General case' 0 C--N 1.317 -0.845 0 O-C-N 122.07 -0.394 . . . . 50.0 110.49 -174.477 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.3 t -117.04 132.02 56.79 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.555 -0.906 . . . . 25.0 108.555 173.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -107.68 124.84 50.59 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 105.338 -2.097 . . . . 25.0 105.338 -178.012 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 13.4 ttt180 -127.19 149.06 50.15 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 114.577 1.325 . . . . 25.0 114.577 -163.75 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -75.93 165.09 25.48 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.243 -1.344 . . . . 25.0 109.245 171.137 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -134.19 -28.44 1.33 Allowed 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 109.393 -0.595 . . . . 25.0 109.393 166.717 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 39.5 tp -141.93 160.38 40.32 Favored 'General case' 0 C--O 1.218 -0.573 0 N-CA-C 107.215 -1.402 . . . . 25.0 107.215 178.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -64.12 -21.21 66.45 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 121.482 -0.761 . . . . 25.0 112.296 177.461 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -84.05 10.62 9.57 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.157 0.503 . . . . 25.0 111.707 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.64 -40.69 84.15 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 113.84 1.052 . . . . 25.0 113.84 -178.699 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 70.6 m -140.88 98.76 3.46 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.542 -0.91 . . . . 25.0 108.542 -179.014 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 15.7 t-80 -147.49 162.63 38.67 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 107.921 -1.14 . . . . 25.0 107.921 -171.341 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -135.99 159.04 42.9 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 107.945 -1.131 . . . . 25.0 107.945 171.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 88.6 p -154.73 169.71 9.74 Favored Pre-proline 0 C--N 1.323 -0.575 0 N-CA-C 106.102 -1.814 . . . . 25.0 106.102 -177.193 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -70.59 -7.83 22.22 Favored 'Trans proline' 0 CA--C 1.536 0.622 0 C-N-CA 115.53 -2.514 . . . . 25.0 113.68 177.427 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.7 mp -80.07 -7.18 58.73 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 109.948 -0.39 . . . . 25.0 109.948 176.472 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 135.85 174.17 13.28 Favored Glycine 0 N--CA 1.45 -0.395 0 CA-C-O 121.701 0.612 . . . . 25.0 112.047 178.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.1 t -82.66 145.93 29.37 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.922 -0.77 . . . . 25.0 108.922 177.182 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -132.42 17.06 4.44 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 106.787 -1.56 . . . . 25.0 106.787 174.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 88.4 p -77.01 150.57 35.81 Favored 'General case' 0 CA--C 1.516 -0.346 0 N-CA-C 109.091 -0.707 . . . . 25.0 109.091 -179.358 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -92.55 162.06 14.35 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 123.35 0.406 . . . . 50.0 111.608 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.1 tp -125.7 131.05 52.65 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.809 -1.182 . . . . 25.0 107.809 178.287 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 24.5 mt -108.08 141.52 23.11 Favored 'Isoleucine or valine' 0 C--O 1.238 0.478 0 CA-C-O 121.447 0.642 . . . . 25.0 109.318 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -126.85 155.93 42.16 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.078 -1.419 . . . . 25.0 107.459 -177.269 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 55.47 36.0 26.23 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.111 0.964 . . . . 25.0 111.322 176.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.463 ' HB3' ' HB2' ' A' ' 137' ' ' ALA . 47.9 t80 -83.42 123.24 29.49 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.142 -0.936 . . . . 25.0 109.37 178.025 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -100.77 110.25 60.17 Favored Pre-proline 0 C--N 1.318 -0.766 0 N-CA-C 106.664 -1.606 . . . . 25.0 106.664 177.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -68.1 -18.59 45.67 Favored 'Trans proline' 0 C--O 1.222 -0.283 0 N-CA-C 115.868 1.449 . . . . 25.0 115.868 -171.515 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.3 t -86.49 -11.97 50.23 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.339 0.496 . . . . 25.0 112.339 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 83.7 mm-40 -132.23 -36.19 1.16 Allowed 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 115.101 1.519 . . . . 25.0 115.101 -171.394 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -84.85 161.21 19.99 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.693 -0.484 . . . . 50.0 109.693 -176.201 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -141.23 156.99 45.83 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 122.266 -0.272 . . . . 25.0 111.602 -179.563 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 19.3 mt -123.01 121.31 62.84 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 CA-C-O 120.861 0.362 . . . . 25.0 110.435 178.18 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -95.38 122.28 37.93 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.251 -1.018 . . . . 25.0 108.251 176.565 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 24.5 m -129.75 26.05 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 CA-C-O 121.409 0.623 . . . . 25.0 112.345 -176.019 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 35.9 t -57.5 -34.79 69.43 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 114.544 1.313 . . . . 25.0 114.544 -175.456 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.98 -18.45 61.98 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 113.065 0.765 . . . . 25.0 113.065 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 12.8 mt -86.58 -29.89 22.27 Favored 'General case' 0 C--O 1.217 -0.605 0 N-CA-C 105.316 -2.105 . . . . 25.0 105.316 178.746 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.449 0 CA-C-N 114.097 -1.41 . . . . 25.0 116.232 167.835 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 . . . . . 0 N--CA 1.468 0.46 0 N-CA-C 107.956 -1.127 . . . . 25.0 107.956 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 76.19 7.62 84.73 Favored Glycine 0 C--O 1.223 -0.548 0 N-CA-C 116.549 1.38 . . . . 25.0 116.549 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.435 ' HA ' ' HB3' ' A' ' 119' ' ' TYR . 98.3 m-85 -142.37 154.01 44.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 117.842 0.821 . . . . 25.0 111.662 179.425 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 49.64 57.43 6.53 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 114.568 1.321 . . . . 25.0 114.568 171.627 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.1 18.21 61.4 Favored Glycine 0 C--O 1.24 0.529 0 C-N-CA 120.147 -1.025 . . . . 25.0 113.042 174.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 16.3 p -132.66 144.88 50.63 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 104.85 -2.278 . . . . 25.0 104.85 177.457 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 86.8 mt -96.67 156.19 16.45 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 117.453 2.39 . . . . 25.0 117.453 -167.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -132.7 156.17 47.5 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 104.67 -2.344 . . . . 25.0 104.67 169.379 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 11.0 p -126.36 151.57 32.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 108.782 -0.822 . . . . 25.0 108.782 -178.369 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 61.4 p -152.59 170.07 21.11 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 107.75 -1.204 . . . . 25.0 107.75 -178.504 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 44.9 mt . . . . . 0 C--N 1.326 -0.438 0 N-CA-C 109.624 -0.51 . . . . 25.0 109.624 -178.073 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 79.6 mtt180 . . . . . 0 CA--C 1.509 -0.608 0 N-CA-C 108.181 -1.044 . . . . 25.0 108.181 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 17.9 m -119.25 144.31 46.83 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 106.216 -1.772 . . . . 25.0 106.216 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -132.43 147.82 52.39 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.133 -0.692 . . . . 25.0 109.133 179.487 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.6 mp -128.22 145.89 50.9 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 107.864 -1.161 . . . . 25.0 107.864 178.037 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 38.8 tttt -138.43 138.45 38.19 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.91 -0.404 . . . . 25.0 109.91 179.114 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.3 t -98.47 -17.22 18.88 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 121.455 0.645 . . . . 25.0 110.862 178.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' TYR . . . . . 0.435 ' HB3' ' HA ' ' A' ' 99' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.473 0.708 0 CA-C-O 122.57 1.176 . . . . 25.0 113.816 174.599 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 31.1 p . . . . . 0 C--O 1.242 0.665 0 N-CA-C 114.356 1.243 . . . . 25.0 114.356 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -86.4 141.12 29.39 Favored 'General case' 0 C--O 1.244 0.769 0 CA-C-N 115.092 -0.958 . . . . 25.0 109.93 176.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -144.15 145.51 32.16 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 107.456 -1.313 . . . . 25.0 107.456 176.33 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 1.9 mt -129.84 165.14 22.6 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 123.33 0.652 . . . . 25.0 109.46 -177.64 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -142.28 150.71 41.21 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.32 0.581 . . . . 25.0 110.102 176.437 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 55.7 mt -132.9 149.32 52.26 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 103.82 -2.659 . . . . 25.0 103.82 176.09 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.11 179.89 6.31 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 120.001 -0.68 . . . . 25.0 110.197 179.155 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -80.8 56.43 4.78 Favored Glycine 0 C--O 1.224 -0.524 0 CA-C-O 122.288 0.938 . . . . 25.0 112.178 -176.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -109.62 -165.15 0.99 Allowed 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 103.953 -2.61 . . . . 25.0 103.953 179.442 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -67.36 -3.8 9.21 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 121.572 0.701 . . . . 25.0 110.913 174.346 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.463 ' HB2' ' HB3' ' A' ' 78' ' ' PHE . . . -59.89 -27.21 66.52 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.154 0.582 . . . . 25.0 111.036 172.426 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -68.62 -18.41 64.3 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 111.753 0.279 . . . . 25.0 111.753 -179.493 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 76.1 p -112.49 35.58 3.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.84 0.352 . . . . 25.0 110.054 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -63.23 150.44 43.07 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.748 0.785 . . . . 25.0 112.625 -179.463 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 37.9 t -97.85 156.72 16.46 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.115 -1.068 . . . . 25.0 108.115 176.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.0 -17.84 64.54 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.562 0.696 . . . . 25.0 110.328 176.372 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -73.1 -22.03 79.34 Favored Glycine 0 CA--C 1.522 0.47 0 CA-C-N 115.383 -0.826 . . . . 25.0 114.654 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -90.56 27.92 1.62 Allowed 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 118.387 1.093 . . . . 25.0 111.859 -177.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 8.0 mt -124.86 158.88 32.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 106.596 -1.631 . . . . 25.0 106.596 179.659 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 2.9 p -57.65 -16.89 6.44 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.759 0 N-CA-C 113.995 1.109 . . . . 25.0 113.995 -177.68 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 . . . . . 0 N--CA 1.467 0.399 0 N-CA-C 111.963 0.356 . . . . 25.0 111.963 178.975 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.477 0.918 0 N-CA-C 111.862 0.319 . . . . 25.0 111.862 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -93.12 167.58 29.28 Favored Glycine 0 N--CA 1.454 -0.119 0 C-N-CA 121.382 -0.437 . . . . 25.0 113.803 -176.159 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.455 HG23 ' H ' ' A' ' 6' ' ' GLY . 6.6 t -96.91 -175.33 3.24 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 106.407 -1.701 . . . . 25.0 106.407 176.102 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -84.26 4.22 31.86 Favored 'General case' 0 C--N 1.322 -0.606 0 O-C-N 120.963 -1.086 . . . . 25.0 112.809 -178.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.455 ' H ' HG23 ' A' ' 4' ' ' THR . . . -85.28 -166.13 41.37 Favored Glycine 0 C--N 1.319 -0.38 0 N-CA-C 108.951 -1.659 . . . . 25.0 108.951 171.201 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -88.86 130.48 35.39 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.791 -1.188 . . . . 25.0 107.791 177.13 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -124.7 150.25 46.35 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 120.895 0.379 . . . . 50.0 111.616 -177.276 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 89.2 t -127.62 106.42 15.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 105.417 -2.068 . . . . 25.0 105.417 171.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 93.9 mt -122.73 143.89 49.52 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.43 -0.35 . . . . 25.0 110.69 -176.121 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.41 ' HA ' ' HB2' ' A' ' 29' ' ' ASP . 81.6 mt -130.79 125.38 58.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 106.883 -1.525 . . . . 25.0 106.883 177.573 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -81.27 158.59 40.14 Favored Glycine 0 N--CA 1.451 -0.361 0 CA-C-O 121.682 0.601 . . . . 25.0 113.369 -178.133 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 89.1 p -82.36 -179.36 7.39 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 123.319 0.647 . . . . 25.0 110.148 178.698 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -73.15 -14.35 61.35 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 115.112 1.523 . . . . 25.0 115.112 -176.291 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.7 m -85.39 167.86 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 108.945 -0.761 . . . . 25.0 108.945 178.088 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.85 137.11 25.11 Favored Glycine 0 N--CA 1.454 -0.154 0 C-N-CA 120.426 -0.893 . . . . 25.0 111.301 178.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -142.01 161.52 37.77 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.144 0.497 . . . . 50.0 111.566 -175.314 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -119.11 117.83 29.77 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 105.341 -2.096 . . . . 25.0 105.341 172.19 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 44.1 mt -126.4 118.11 50.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.374 0.607 . . . . 25.0 109.861 -175.156 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 73.6 p -108.66 141.6 40.38 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.682 -0.858 . . . . 25.0 108.682 177.685 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -94.68 -23.91 19.61 Favored Glycine 0 C--N 1.323 -0.158 0 N-CA-C 114.542 0.577 . . . . 25.0 114.542 -176.675 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.65 -159.43 53.2 Favored Glycine 0 C--O 1.246 0.847 0 N-CA-C 111.39 -0.684 . . . . 25.0 111.39 -176.767 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.42 178.64 3.33 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 122.129 -0.63 . . . . 25.0 109.587 177.742 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.75 166.84 37.98 Favored Glycine 0 C--O 1.242 0.595 0 C-N-CA 121.111 -0.566 . . . . 25.0 112.08 -178.384 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -91.73 112.28 24.14 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 107.479 -1.304 . . . . 25.0 107.479 -178.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -117.64 164.39 15.02 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 114.67 1.359 . . . . 50.0 114.67 -170.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 67.1 ttt180 -124.02 124.72 43.18 Favored 'General case' 0 CA--C 1.507 -0.684 0 N-CA-C 104.297 -2.483 . . . . 25.0 104.297 167.242 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 76.5 mt -125.12 113.05 17.2 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 107.115 -1.439 . . . . 25.0 107.115 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.41 ' HB2' ' HA ' ' A' ' 11' ' ' ILE . 6.7 m-20 -106.32 136.51 45.92 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 105.174 -2.158 . . . . 25.0 105.174 175.352 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -90.19 -27.4 20.91 Favored Glycine 0 C--N 1.322 -0.242 0 N-CA-C 112.174 -0.37 . . . . 25.0 112.174 -178.455 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 72.84 -159.57 53.67 Favored Glycine 0 C--O 1.243 0.704 0 N-CA-C 110.639 -0.984 . . . . 25.0 110.639 -177.017 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.93 172.39 11.69 Favored 'General case' 0 C--O 1.244 0.778 0 N-CA-C 109.538 -0.541 . . . . 25.0 109.538 178.089 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 82.33 166.73 38.82 Favored Glycine 0 C--O 1.239 0.461 0 N-CA-C 110.067 -1.213 . . . . 25.0 110.067 -176.586 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -85.4 129.44 34.81 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 107.518 -1.289 . . . . 25.0 107.518 -178.564 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -131.77 153.95 49.58 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 114.235 1.198 . . . . 50.0 114.235 -171.432 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.0 mp -113.89 127.71 56.09 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 106.72 -1.585 . . . . 25.0 106.72 175.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.6 mp -127.09 122.21 33.66 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.699 0.285 . . . . 25.0 111.281 -176.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -112.51 113.13 25.15 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 109.873 -0.418 . . . . 25.0 109.873 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.44 -47.8 75.09 Favored Glycine 0 C--O 1.248 1.006 0 N-CA-C 115.594 0.998 . . . . 25.0 115.594 -175.257 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.14 179.46 51.98 Favored Glycine 0 CA--C 1.519 0.331 0 N-CA-C 111.46 -0.656 . . . . 25.0 111.46 -176.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.71 153.54 16.45 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 122.09 -0.653 . . . . 25.0 109.885 179.345 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.84 169.77 39.96 Favored Glycine 0 C--O 1.242 0.62 0 N-CA-C 111.015 -0.834 . . . . 25.0 111.015 -176.29 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.5 ptt180 -94.69 127.51 40.72 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 106.425 -1.694 . . . . 25.0 106.425 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -127.6 168.52 14.89 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 116.278 -0.419 . . . . 50.0 111.853 -170.224 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.78 115.3 19.82 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 106.276 -1.75 . . . . 25.0 106.276 176.309 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.7 mp -113.29 101.1 9.09 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.632 -0.507 . . . . 25.0 109.632 -173.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.1 m -94.58 112.57 24.32 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.677 -0.49 . . . . 25.0 109.677 -178.037 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -75.18 -42.4 28.94 Favored Glycine 0 C--O 1.242 0.628 0 C-N-CA 119.44 -1.362 . . . . 25.0 113.482 -176.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.428 ' H ' ' HB2' ' A' ' 77' ' ' ASP . . . 74.48 -163.59 54.45 Favored Glycine 0 C--O 1.243 0.673 0 N-CA-C 111.141 -0.784 . . . . 25.0 111.141 -177.537 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.1 mt -63.85 155.95 28.98 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.907 0.384 . . . . 25.0 110.394 177.784 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 89.99 168.67 43.07 Favored Glycine 0 C--O 1.242 0.648 0 N-CA-C 110.973 -0.851 . . . . 25.0 110.973 -178.642 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -80.06 132.5 35.98 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 107.154 -1.424 . . . . 25.0 107.154 179.102 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -130.61 143.69 50.92 Favored 'General case' 0 C--N 1.317 -0.827 0 O-C-N 121.941 -0.475 . . . . 50.0 110.659 -176.267 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.1 t -120.3 131.67 54.99 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.437 -0.949 . . . . 25.0 108.437 176.532 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -113.18 116.5 29.9 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 105.596 -2.002 . . . . 25.0 105.596 -177.302 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 56.0 ttt85 -126.56 150.17 48.99 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.903 0.859 . . . . 25.0 112.528 -168.105 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 45.3 p90 -67.95 150.36 48.6 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.79 -1.095 . . . . 25.0 110.47 176.084 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -114.41 -29.24 6.94 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 107.881 -1.155 . . . . 25.0 107.881 167.385 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -131.73 163.03 29.08 Favored 'General case' 0 C--O 1.214 -0.811 0 N-CA-C 104.84 -2.282 . . . . 25.0 104.84 176.601 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 29.3 ptt180 -71.27 -19.84 62.29 Favored 'General case' 0 C--O 1.211 -0.943 0 CA-C-N 119.243 0.929 . . . . 25.0 110.416 174.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -95.16 12.46 28.71 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.733 0.778 . . . . 25.0 111.654 -175.134 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -57.3 -32.36 66.57 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.102 -0.954 . . . . 25.0 113.53 -178.453 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 46.3 p -133.16 85.44 2.21 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.415 -0.958 . . . . 25.0 108.415 179.177 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 43.8 t-80 -140.23 147.62 40.3 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.64 -0.709 . . . . 25.0 111.445 -170.235 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 47.8 mtt-85 -119.24 155.93 30.84 Favored 'General case' 0 C--O 1.22 -0.494 0 N-CA-C 108.147 -1.057 . . . . 25.0 108.147 175.324 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.5 t -150.03 155.73 37.71 Favored Pre-proline 0 C--N 1.318 -0.776 0 N-CA-C 104.595 -2.372 . . . . 25.0 104.595 179.266 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -67.33 -13.77 40.53 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 115.498 -2.535 . . . . 25.0 112.23 174.403 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 74.4 mt -86.2 -1.32 57.34 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 112.205 0.446 . . . . 25.0 112.205 178.504 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 144.84 164.9 10.85 Favored Glycine 0 C--O 1.225 -0.439 0 N-CA-C 111.947 -0.461 . . . . 25.0 111.947 -179.683 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 14.9 t -114.75 142.91 45.88 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.489 0.662 . . . . 25.0 111.113 -178.357 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -126.06 12.83 7.79 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 107.759 -1.2 . . . . 25.0 107.759 -178.099 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 78.2 p -66.15 140.43 58.2 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.281 -0.872 . . . . 25.0 109.575 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -93.51 158.49 15.68 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.815 0.34 . . . . 50.0 110.39 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 9.5 mp -114.49 132.53 56.25 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 105.34 -2.096 . . . . 25.0 105.34 173.211 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 26.8 mt -107.85 140.56 25.79 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 N-CA-C 105.269 -2.122 . . . . 25.0 105.269 176.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 62.1 mt -128.27 156.11 43.53 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.054 -0.975 . . . . 25.0 109.322 -172.085 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.428 ' HB2' ' H ' ' A' ' 49' ' ' GLY . 32.3 m-20 55.34 38.5 30.42 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.769 0.827 . . . . 25.0 110.126 -178.433 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -79.38 117.72 20.61 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-O 121.949 0.881 . . . . 25.0 110.544 -178.076 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -76.49 143.66 72.72 Favored Pre-proline 0 C--N 1.317 -0.825 0 CA-C-N 114.699 -1.137 . . . . 25.0 108.567 179.327 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -76.38 -12.05 18.93 Favored 'Trans proline' 0 C--N 1.341 0.157 0 N-CA-C 115.739 1.4 . . . . 25.0 115.739 -173.074 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.5 m -149.12 17.11 0.95 Allowed 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 113.321 0.86 . . . . 25.0 113.321 -177.213 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -132.18 -9.15 3.38 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 112.024 0.379 . . . . 25.0 112.024 -178.448 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -113.87 150.46 33.59 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.154 -1.054 . . . . 50.0 108.154 -178.673 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 48.1 tttm -136.94 145.42 44.21 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.022 0.379 . . . . 25.0 112.022 -170.386 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 58.2 mt -117.48 124.98 73.74 Favored 'Isoleucine or valine' 0 C--O 1.238 0.472 0 CA-C-O 121.069 0.461 . . . . 25.0 109.839 -178.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -111.71 114.22 27.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.135 0.493 . . . . 25.0 110.565 -178.614 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 15.6 m -127.53 36.35 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 CA-C-O 121.876 0.846 . . . . 25.0 110.96 -177.715 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.43 -15.26 24.82 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 115.166 1.543 . . . . 25.0 115.166 -177.82 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -76.26 -4.77 43.74 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 113.38 0.882 . . . . 25.0 113.38 -179.456 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 23.1 mt -104.13 -67.5 0.89 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.655 0.741 . . . . 25.0 109.623 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.538 0 N-CA-C 107.169 -2.372 . . . . 25.0 107.169 -171.702 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 . . . . . 0 N--CA 1.475 0.822 0 N-CA-C 114.306 1.224 . . . . 25.0 114.306 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 83.08 1.94 90.58 Favored Glycine 0 CA--C 1.51 -0.274 0 C-N-CA 121.081 -0.581 . . . . 25.0 112.154 -175.296 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.461 ' HA ' ' HB3' ' A' ' 119' ' ' TYR . 97.9 m-85 -140.61 162.47 35.3 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 106.504 -1.665 . . . . 25.0 106.504 -179.399 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 59.61 42.52 17.13 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 124.041 0.838 . . . . 25.0 112.27 179.318 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 72.91 20.87 80.06 Favored Glycine 0 CA--C 1.511 -0.208 0 C-N-CA 120.875 -0.678 . . . . 25.0 113.371 174.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 28.2 p -119.96 143.64 47.91 Favored 'General case' 0 CA--C 1.51 -0.568 0 N-CA-C 107.546 -1.279 . . . . 25.0 107.546 179.117 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -77.33 159.65 29.38 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 113.66 0.985 . . . . 25.0 113.66 -175.788 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -158.42 161.99 37.54 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 106.122 -1.807 . . . . 25.0 106.122 163.345 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 8.7 p -129.66 153.75 39.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 107.976 -1.12 . . . . 25.0 107.976 178.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 43.7 m -146.37 161.78 39.61 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.086 -1.079 . . . . 25.0 108.086 179.169 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 81.9 mt . . . . . 0 C--N 1.323 -0.554 0 N-CA-C 108.663 -0.865 . . . . 25.0 108.663 178.908 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 20.8 mtt-85 . . . . . 0 CA--C 1.509 -0.602 0 N-CA-C 108.632 -0.877 . . . . 25.0 108.632 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 7.3 m -133.41 147.87 51.77 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.015 -0.735 . . . . 25.0 109.015 -175.544 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -131.86 145.15 51.37 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 107.859 -1.163 . . . . 25.0 107.859 178.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.6 mp -129.1 144.25 51.14 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 107.008 -1.479 . . . . 25.0 107.008 -179.243 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 31.8 mttt -130.88 160.27 34.96 Favored 'General case' 0 C--O 1.22 -0.464 0 N-CA-C 112.245 0.461 . . . . 25.0 112.245 -179.577 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 48.2 t -145.37 -41.78 0.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.28 -1.378 . . . . 25.0 107.28 170.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' TYR . . . . . 0.461 ' HB3' ' HA ' ' A' ' 99' ' ' TYR . 1.4 t80 . . . . . 0 N--CA 1.474 0.733 0 N-CA-C 114.352 1.241 . . . . 25.0 114.352 171.755 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.434 ' HA ' ' HA ' ' A' ' 119' ' ' TYR . 13.7 m . . . . . 0 CA--C 1.51 -0.57 0 CA-C-O 121.946 0.879 . . . . 25.0 111.306 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -94.29 119.22 32.75 Favored 'General case' 0 C--N 1.309 -1.174 0 N-CA-C 107.048 -1.464 . . . . 25.0 107.048 178.057 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -146.36 152.9 39.84 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.868 -1.16 . . . . 25.0 107.868 179.489 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 2.2 mt -128.58 160.39 32.55 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.504 -0.924 . . . . 25.0 108.504 178.596 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -136.1 148.17 48.15 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 107.461 -1.311 . . . . 25.0 107.461 175.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 24.8 mt -131.49 146.85 52.44 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 103.006 -2.961 . . . . 25.0 103.006 176.456 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -143.95 154.86 43.75 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 107.422 -1.325 . . . . 25.0 107.422 179.045 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 67.01 47.17 66.72 Favored Glycine 0 CA--C 1.516 0.154 0 N-CA-C 109.667 -1.373 . . . . 25.0 109.667 -175.309 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -100.69 148.35 24.97 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 115.325 1.602 . . . . 25.0 115.325 -170.739 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 70.0 m80 -83.07 46.66 1.14 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.444 -1.253 . . . . 25.0 109.012 169.729 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -61.04 -29.88 69.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.308 -0.405 . . . . 25.0 111.393 -176.58 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -62.24 -23.15 66.51 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 116.366 -0.379 . . . . 25.0 111.847 178.372 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 69.6 p -127.68 29.59 5.45 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 122.235 0.214 . . . . 25.0 111.165 -178.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 4.0 pp -63.01 161.27 13.4 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 112.84 0.682 . . . . 25.0 112.84 -175.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 16.0 t -143.2 161.84 37.19 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.879 -0.786 . . . . 25.0 108.879 177.399 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -93.91 170.29 9.66 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.031 0.444 . . . . 25.0 110.722 -178.257 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 91.35 -3.97 79.92 Favored Glycine 0 C--O 1.226 -0.371 0 N-CA-C 115.63 1.012 . . . . 25.0 115.63 174.241 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -76.19 40.31 0.21 Allowed 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 113.546 0.943 . . . . 25.0 113.546 -179.438 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 1.4 pp -137.09 160.43 36.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.146 0.498 . . . . 25.0 111.057 -177.446 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 9.1 p -59.66 -24.25 28.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 N-CA-C 115.106 1.521 . . . . 25.0 115.106 -176.122 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 . . . . . 0 C--N 1.324 -0.532 0 N-CA-C 113.621 0.971 . . . . 25.0 113.621 -174.227 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.676 ' N ' HE21 ' A' ' 2' ' ' GLN . 0.0 OUTLIER . . . . . 0 CA--C 1.532 0.257 0 CA-C-O 120.771 0.32 . . . . 25.0 111.293 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -111.84 -175.42 19.91 Favored Glycine 0 N--CA 1.455 -0.095 0 N-CA-C 109.244 -1.543 . . . . 25.0 109.244 176.022 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.3 t -134.06 177.83 7.43 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.377 -0.971 . . . . 25.0 108.377 -178.729 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -76.09 142.91 41.57 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.022 -1.103 . . . . 25.0 108.022 178.291 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 107.96 -174.43 19.16 Favored Glycine 0 C--O 1.229 -0.168 0 N-CA-C 106.393 -2.683 . . . . 25.0 106.393 -169.043 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -91.32 135.55 33.73 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 119.252 1.526 . . . . 25.0 110.577 -176.418 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -123.43 149.15 45.4 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 121.011 0.434 . . . . 50.0 110.996 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 68.0 t -129.14 104.35 10.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 105.206 -2.146 . . . . 25.0 105.206 171.795 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 89.1 mt -121.56 137.4 54.75 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.416 -0.356 . . . . 25.0 110.213 -175.023 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 75.9 mt -126.35 124.6 65.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 106.441 -1.689 . . . . 25.0 106.441 178.717 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -81.85 158.22 38.53 Favored Glycine 0 N--CA 1.448 -0.543 0 CA-C-O 121.801 0.667 . . . . 25.0 113.058 -178.156 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 77.8 p -88.36 -179.95 6.21 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.827 -0.687 . . . . 25.0 109.316 178.011 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -74.33 -12.84 60.65 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 115.0 1.481 . . . . 25.0 115.0 -175.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.5 m -84.36 168.17 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.076 -0.713 . . . . 25.0 109.076 177.362 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.84 138.96 27.83 Favored Glycine 0 N--CA 1.452 -0.263 0 N-CA-C 110.637 -0.985 . . . . 25.0 110.637 177.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -143.01 161.97 36.71 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.42 0.629 . . . . 50.0 112.495 -174.429 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -111.1 122.56 48.18 Favored 'General case' 0 C--O 1.239 0.518 0 N-CA-C 105.019 -2.215 . . . . 25.0 105.019 170.538 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 78.2 mt -127.04 138.19 55.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 107.658 -1.238 . . . . 25.0 107.658 -172.423 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 92.2 p -139.9 156.26 46.78 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 121.796 -0.565 . . . . 25.0 109.852 177.739 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -105.92 -34.99 3.09 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 121.345 -0.455 . . . . 25.0 112.648 178.055 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 70.7 -155.9 53.08 Favored Glycine 0 C--O 1.244 0.755 0 N-CA-C 110.131 -1.188 . . . . 25.0 110.131 -176.61 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.44 167.08 20.37 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 118.157 0.979 . . . . 25.0 109.175 178.045 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 88.54 171.6 46.27 Favored Glycine 0 C--O 1.243 0.699 0 CA-C-N 116.122 -0.49 . . . . 25.0 113.075 178.808 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -85.78 117.97 24.98 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 107.631 -1.248 . . . . 25.0 107.631 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -123.44 155.93 36.5 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 112.691 0.626 . . . . 50.0 112.691 -174.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -124.51 118.6 26.98 Favored 'General case' 0 CA--C 1.505 -0.773 0 N-CA-C 105.088 -2.19 . . . . 25.0 105.088 172.436 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 64.4 mt -122.77 124.01 42.37 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 108.674 -0.861 . . . . 25.0 108.674 -174.678 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -116.63 139.45 50.51 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 105.873 -1.899 . . . . 25.0 105.873 173.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -96.33 -29.47 8.36 Favored Glycine 0 C--N 1.321 -0.263 0 C-N-CA 121.584 -0.341 . . . . 25.0 113.016 -179.437 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 70.05 -158.52 53.47 Favored Glycine 0 C--O 1.245 0.828 0 N-CA-C 110.608 -0.997 . . . . 25.0 110.608 -176.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.31 173.26 9.78 Favored 'General case' 0 C--O 1.243 0.757 0 CA-C-O 121.27 0.557 . . . . 25.0 109.708 178.234 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 81.07 164.56 32.43 Favored Glycine 0 C--O 1.239 0.411 0 N-CA-C 110.081 -1.208 . . . . 25.0 110.081 -176.718 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -84.21 132.77 34.63 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 107.507 -1.294 . . . . 25.0 107.507 -178.651 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -132.85 149.27 52.28 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 113.555 0.946 . . . . 50.0 113.555 -172.361 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.4 mp -108.13 128.78 54.99 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 105.543 -2.021 . . . . 25.0 105.543 176.168 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.7 mp -130.52 107.02 8.9 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 113.292 0.849 . . . . 25.0 113.292 -177.107 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -100.46 104.83 16.24 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-O 121.012 0.435 . . . . 25.0 110.232 178.127 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -63.14 -44.61 96.91 Favored Glycine 0 C--O 1.249 1.046 0 N-CA-C 115.789 1.075 . . . . 25.0 115.789 -175.22 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.46 175.52 43.31 Favored Glycine 0 CA--C 1.518 0.224 0 O-C-N 121.887 -0.772 . . . . 25.0 112.045 -178.411 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.68 152.63 11.84 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 122.014 -0.698 . . . . 25.0 111.429 -179.021 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.13 162.72 37.55 Favored Glycine 0 C--O 1.241 0.569 0 N-CA-C 110.634 -0.986 . . . . 25.0 110.634 -177.136 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.6 ptp85 -81.13 134.43 35.64 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 107.737 -1.208 . . . . 25.0 107.737 -179.389 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -131.4 165.11 24.23 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 116.352 -0.385 . . . . 50.0 110.282 -174.015 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.7 mpt_? -128.21 121.27 29.0 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 104.084 -2.562 . . . . 25.0 104.084 178.693 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.6 mp -124.11 98.41 5.77 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 123.435 0.46 . . . . 25.0 111.591 -170.584 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.3 m -91.52 111.04 22.38 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.208 -0.664 . . . . 25.0 109.208 179.489 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -73.46 -41.48 44.58 Favored Glycine 0 C--O 1.243 0.671 0 C-N-CA 119.756 -1.212 . . . . 25.0 113.657 -176.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.446 ' H ' ' HB2' ' A' ' 77' ' ' ASP . . . 76.32 -165.26 53.86 Favored Glycine 0 C--O 1.247 0.922 0 N-CA-C 111.506 -0.638 . . . . 25.0 111.506 -177.182 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.9 mt -65.59 158.06 28.14 Favored 'General case' 0 C--O 1.237 0.446 0 N-CA-C 109.863 -0.421 . . . . 25.0 109.863 177.608 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 88.76 169.59 44.86 Favored Glycine 0 C--O 1.243 0.712 0 N-CA-C 110.976 -0.85 . . . . 25.0 110.976 -178.779 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.83 131.5 36.49 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 107.483 -1.302 . . . . 25.0 107.483 179.343 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -130.55 140.21 50.47 Favored 'General case' 0 C--N 1.316 -0.854 0 O-C-N 121.884 -0.51 . . . . 50.0 110.176 -176.752 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.3 t -118.26 126.28 51.83 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.875 0.845 . . . . 25.0 108.805 176.391 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -106.58 122.57 46.58 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 105.326 -2.102 . . . . 25.0 105.326 -178.673 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 58.0 ttt-85 -124.56 145.06 49.79 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 114.193 1.183 . . . . 25.0 114.193 -167.454 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 34.3 p90 -70.92 155.9 40.25 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.182 -0.917 . . . . 25.0 109.77 173.319 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -127.95 -23.2 3.39 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 116.074 -0.512 . . . . 25.0 110.321 168.258 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -135.07 165.98 24.11 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 107.772 -1.196 . . . . 25.0 107.772 179.494 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -71.21 -29.62 65.38 Favored 'General case' 0 C--O 1.205 -1.269 0 N-CA-C 109.299 -0.63 . . . . 25.0 109.299 172.135 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -98.79 18.48 16.89 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 121.866 0.841 . . . . 25.0 110.938 -176.547 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -55.49 -37.66 68.11 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.893 -1.048 . . . . 25.0 111.1 -178.414 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 75.2 m -137.02 117.73 13.99 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 105.884 -1.895 . . . . 25.0 105.884 172.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -153.42 157.99 40.76 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.001 -0.74 . . . . 25.0 109.001 -173.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 58.0 mtt85 -132.52 159.38 39.58 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 118.832 0.742 . . . . 25.0 111.466 178.692 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 87.2 p -151.07 164.51 19.98 Favored Pre-proline 0 C--N 1.322 -0.622 0 N-CA-C 105.828 -1.916 . . . . 25.0 105.828 179.341 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -70.11 -13.56 33.94 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 116.21 -2.06 . . . . 25.0 112.723 176.348 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 81.6 mt -84.22 -2.95 57.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.87 0.367 . . . . 25.0 111.204 178.643 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 145.63 160.66 8.74 Favored Glycine 0 N--CA 1.452 -0.277 0 CA-C-O 121.923 0.735 . . . . 25.0 113.333 179.279 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.4 t -96.19 143.43 27.3 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.389 -0.597 . . . . 25.0 109.389 179.421 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -126.89 17.42 7.33 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 106.073 -1.825 . . . . 25.0 106.073 176.294 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 29.7 t -73.98 147.18 43.24 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 114.935 -1.03 . . . . 25.0 110.476 -179.177 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -85.61 159.72 19.78 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.75 -0.659 . . . . 50.0 109.888 175.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.6 mp -122.0 124.26 43.58 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 106.612 -1.625 . . . . 25.0 106.612 175.04 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 24.7 mt -104.76 141.16 20.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 108.215 -1.031 . . . . 25.0 108.215 178.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -127.62 158.3 37.89 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.985 -1.007 . . . . 25.0 109.596 -174.096 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.446 ' HB2' ' H ' ' A' ' 49' ' ' GLY . 36.0 m-20 56.77 39.21 29.76 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.237 1.015 . . . . 25.0 111.231 178.583 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -81.34 117.7 22.03 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-N 115.518 -0.765 . . . . 25.0 111.874 -178.131 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -73.75 153.85 89.29 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 114.782 -1.099 . . . . 25.0 111.477 -178.688 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -74.31 -17.61 21.29 Favored 'Trans proline' 0 C--N 1.346 0.433 0 N-CA-C 116.111 1.543 . . . . 25.0 116.111 -176.696 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 12.0 t -153.06 12.13 0.48 Allowed 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 114.071 1.137 . . . . 25.0 114.071 -177.093 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -121.52 -7.76 9.14 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 112.161 0.43 . . . . 25.0 112.161 -176.158 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -113.79 148.52 36.41 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.844 -0.799 . . . . 50.0 108.844 -177.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 38.8 tptt -125.66 142.75 51.35 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.516 -0.311 . . . . 25.0 111.086 -174.681 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 58.6 mt -117.6 106.43 19.94 Favored 'Isoleucine or valine' 0 C--O 1.244 0.814 0 N-CA-C 108.026 -1.102 . . . . 25.0 108.026 175.269 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -96.05 110.64 22.85 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.241 -1.022 . . . . 25.0 108.241 177.404 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -137.42 31.04 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 114.969 -1.014 . . . . 25.0 109.737 -175.659 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.7 t -59.68 -33.47 71.62 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 113.97 1.1 . . . . 25.0 113.97 -175.483 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -80.83 0.59 34.31 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 115.339 1.607 . . . . 25.0 115.339 -174.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 42.9 mt -76.66 -52.55 9.43 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 105.746 -1.946 . . . . 25.0 105.746 175.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.355 0 CA-C-N 113.372 -1.74 . . . . 25.0 112.101 -179.876 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.476 0.852 0 CA-C-O 120.831 0.348 . . . . 25.0 110.593 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 91.05 4.59 68.82 Favored Glycine 0 N--CA 1.461 0.303 0 N-CA-C 114.972 0.749 . . . . 25.0 114.972 174.275 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -137.53 163.07 32.05 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.058 -1.09 . . . . 25.0 108.058 179.478 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 56.01 37.07 28.44 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 113.061 0.763 . . . . 25.0 113.061 177.692 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 82.73 4.71 89.96 Favored Glycine 0 N--CA 1.453 -0.198 0 C-N-CA 121.202 -0.523 . . . . 25.0 114.1 176.73 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 43.7 p -100.02 142.62 31.26 Favored 'General case' 0 C--O 1.214 -0.791 0 N-CA-C 107.376 -1.342 . . . . 25.0 107.376 178.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 24.2 mt -79.66 160.23 26.41 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 114.602 1.334 . . . . 25.0 114.602 -176.154 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -154.39 156.79 37.47 Favored 'General case' 0 C--O 1.239 0.512 0 N-CA-C 104.339 -2.467 . . . . 25.0 104.339 167.523 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 9.2 p -137.14 155.43 32.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.061 -0.718 . . . . 25.0 109.061 -179.067 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 77.4 p -141.98 141.74 32.91 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 102.839 -3.023 . . . . 25.0 102.839 170.76 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.474 0.765 0 N-CA-C 116.861 2.171 . . . . 25.0 116.861 -172.227 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 78.9 mtt85 . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 105.808 -1.923 . . . . 25.0 105.808 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 47.9 m -100.61 133.92 44.34 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 107.057 -1.46 . . . . 25.0 107.057 -175.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -131.05 142.88 50.35 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.953 -0.758 . . . . 25.0 108.953 179.429 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 7.9 mp -119.77 134.68 55.14 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 103.426 -2.805 . . . . 25.0 103.426 175.138 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -131.53 153.85 49.4 Favored 'General case' 0 CA--C 1.51 -0.577 0 O-C-N 123.139 0.274 . . . . 25.0 110.557 -177.076 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 81.0 p -142.98 -17.64 0.67 Allowed 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 114.918 1.451 . . . . 25.0 114.918 176.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.544 0.747 0 N-CA-C 118.235 2.68 . . . . 25.0 118.235 -176.095 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 59.7 p . . . . . 0 CA--C 1.519 -0.233 0 N-CA-C 107.593 -1.262 . . . . 25.0 107.593 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -105.21 103.59 13.16 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 106.928 -1.508 . . . . 25.0 106.928 177.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -133.87 149.82 51.35 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.438 -0.801 . . . . 25.0 109.55 -169.148 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -130.45 164.66 24.29 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 120.69 0.281 . . . . 25.0 111.745 -176.217 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -137.84 147.93 44.99 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.3 -1.0 . . . . 25.0 108.3 175.262 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 4.1 mt -138.26 138.51 38.51 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 104.515 -2.402 . . . . 25.0 104.515 176.483 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -120.97 149.25 42.94 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.386 -0.598 . . . . 25.0 109.386 -176.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 57.71 39.28 90.98 Favored Glycine 0 N--CA 1.463 0.452 0 N-CA-C 114.813 0.685 . . . . 25.0 114.813 173.327 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -91.0 164.59 13.92 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 122.157 -0.613 . . . . 25.0 112.52 -174.47 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 78.3 m80 -77.83 55.51 1.4 Allowed 'General case' 0 C--O 1.216 -0.676 0 CA-C-N 114.959 -1.018 . . . . 25.0 109.302 169.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -57.76 -30.15 65.39 Favored 'General case' 0 C--O 1.22 -0.458 0 N-CA-C 112.151 0.426 . . . . 25.0 112.151 -175.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -69.39 -25.45 64.16 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 112.972 0.73 . . . . 25.0 112.972 179.444 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 61.8 p -126.72 -4.04 6.51 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 116.076 1.88 . . . . 25.0 116.076 -175.123 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.8 pp -77.5 161.88 27.58 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 121.734 -0.604 . . . . 25.0 110.656 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 84.3 p -126.19 161.56 27.42 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.091 -0.504 . . . . 25.0 109.808 177.647 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.54 -13.48 62.36 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 116.481 -0.327 . . . . 25.0 111.722 178.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -63.11 -19.48 61.58 Favored Glycine 0 CA--C 1.518 0.252 0 CA-C-N 116.49 -0.323 . . . . 25.0 113.169 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -72.63 -14.27 61.56 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 122.355 -0.497 . . . . 25.0 111.172 177.461 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 58.2 mt -97.13 140.38 17.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 105.057 -2.201 . . . . 25.0 105.057 178.418 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 8.3 p -55.56 -31.82 29.21 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 N-CA-C 113.271 0.841 . . . . 25.0 113.271 -178.639 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 . . . . . 0 C--N 1.326 -0.424 0 N-CA-C 113.516 0.932 . . . . 25.0 113.516 -179.473 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.956 0 CA-C-O 120.702 0.286 . . . . 25.0 111.072 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -92.66 -166.18 38.79 Favored Glycine 0 N--CA 1.452 -0.275 0 CA-C-O 121.509 0.505 . . . . 25.0 113.45 -177.074 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.442 HG23 ' H ' ' A' ' 6' ' ' GLY . 8.9 t -131.28 -176.72 4.11 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 106.09 -1.819 . . . . 25.0 106.09 178.241 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -83.21 2.9 33.42 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 114.079 1.14 . . . . 25.0 114.079 -175.385 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.442 ' H ' HG23 ' A' ' 4' ' ' THR . . . -87.4 -173.57 48.37 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 108.417 -1.873 . . . . 25.0 108.417 171.675 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 49.8 m-20 -81.04 133.15 35.43 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 118.611 1.205 . . . . 25.0 108.415 178.063 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -127.03 149.4 49.92 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 112.153 0.427 . . . . 50.0 112.153 -176.743 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 86.1 t -130.07 104.11 9.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 105.334 -2.098 . . . . 25.0 105.334 170.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 93.3 mt -121.52 138.35 54.33 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.976 -0.379 . . . . 25.0 109.976 -176.216 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.428 ' HA ' ' HB2' ' A' ' 29' ' ' ASP . 75.0 mt -131.06 125.5 57.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 108.454 -0.943 . . . . 25.0 108.454 -179.087 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -89.73 174.46 41.13 Favored Glycine 0 CA--C 1.519 0.288 0 CA-C-O 121.569 0.538 . . . . 25.0 113.669 -178.827 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.6 t -108.3 -169.61 1.54 Allowed 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 123.951 0.9 . . . . 25.0 109.41 -178.805 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -74.29 -17.59 60.83 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 113.551 0.945 . . . . 25.0 113.551 -175.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 36.0 m -75.25 162.55 4.37 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 N-CA-C 109.491 -0.559 . . . . 25.0 109.491 178.099 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.38 135.43 19.65 Favored Glycine 0 C--O 1.229 -0.163 0 N-CA-C 110.396 -1.081 . . . . 25.0 110.396 178.703 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -138.82 164.82 28.63 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 112.435 0.531 . . . . 75.0 112.435 -173.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -129.95 115.78 17.66 Favored 'General case' 0 C--O 1.238 0.487 0 N-CA-C 106.835 -1.543 . . . . 25.0 106.835 176.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 53.5 mt -131.12 115.7 30.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.412 0.625 . . . . 25.0 110.72 -175.718 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 81.2 p -101.33 138.72 37.97 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.531 -0.914 . . . . 25.0 108.531 176.057 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -88.72 -30.62 14.77 Favored Glycine 0 C--O 1.227 -0.334 0 N-CA-C 114.901 0.72 . . . . 25.0 114.901 -178.266 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.22 -161.85 49.82 Favored Glycine 0 C--O 1.244 0.738 0 CA-C-N 117.862 0.831 . . . . 25.0 111.833 -177.606 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.15 179.03 2.98 Favored 'General case' 0 C--N 1.322 -0.606 0 O-C-N 121.935 -0.744 . . . . 25.0 109.873 177.32 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.47 166.47 34.69 Favored Glycine 0 C--O 1.243 0.661 0 N-CA-C 111.672 -0.571 . . . . 25.0 111.672 -177.44 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -88.21 125.12 34.47 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 106.492 -1.67 . . . . 25.0 106.492 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -132.06 161.23 33.74 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 114.88 1.437 . . . . 50.0 114.88 -171.754 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -123.6 121.82 36.56 Favored 'General case' 0 CA--C 1.509 -0.614 0 N-CA-C 106.193 -1.78 . . . . 25.0 106.193 167.213 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -122.97 104.96 9.57 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.259 -1.015 . . . . 25.0 108.259 -178.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.428 ' HB2' ' HA ' ' A' ' 11' ' ' ILE . 9.6 m-20 -102.82 133.59 47.64 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 107.196 -1.409 . . . . 25.0 107.196 178.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -96.01 -26.44 11.45 Favored Glycine 0 C--O 1.226 -0.38 0 CA-C-N 116.263 -0.426 . . . . 25.0 113.194 -177.438 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 70.76 -159.56 53.8 Favored Glycine 0 CA--C 1.522 0.515 0 C-N-CA 120.794 -0.717 . . . . 25.0 111.616 -177.785 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.25 174.99 8.01 Favored 'General case' 0 C--O 1.245 0.828 0 O-C-N 121.776 -0.838 . . . . 25.0 110.137 179.026 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.82 168.37 39.17 Favored Glycine 0 C--O 1.237 0.289 0 N-CA-C 109.8 -1.32 . . . . 25.0 109.8 -176.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -83.12 139.07 33.41 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 107.216 -1.401 . . . . 25.0 107.216 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -140.42 151.7 45.11 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 113.494 0.924 . . . . 50.0 113.494 -172.492 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.7 mp -112.1 126.45 55.19 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 107.02 -1.474 . . . . 25.0 107.02 177.031 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.6 mp -132.69 133.47 43.58 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.674 0.62 . . . . 25.0 112.674 -176.727 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -116.93 138.27 51.66 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 109.067 -0.716 . . . . 25.0 109.067 175.799 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -85.04 -56.25 2.48 Favored Glycine 0 C--O 1.247 0.93 0 C-N-CA 120.235 -0.983 . . . . 25.0 114.225 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.81 -177.19 53.99 Favored Glycine 0 C--O 1.241 0.56 0 N-CA-C 111.406 -0.678 . . . . 25.0 111.406 -177.142 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.05 163.14 10.35 Favored 'General case' 0 C--O 1.24 0.594 0 N-CA-C 109.758 -0.46 . . . . 25.0 109.758 177.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 85.66 171.87 48.41 Favored Glycine 0 C--O 1.241 0.57 0 N-CA-C 110.452 -1.059 . . . . 25.0 110.452 -177.266 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.41 ' HB3' ' HA ' ' A' ' 71' ' ' PHE . 9.9 ptp85 -89.68 130.52 35.95 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 107.305 -1.369 . . . . 25.0 107.305 179.357 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -128.34 149.4 50.53 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.372 -0.376 . . . . 50.0 111.424 -173.412 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -123.25 111.59 16.63 Favored 'General case' 0 CA--C 1.509 -0.622 0 N-CA-C 105.587 -2.005 . . . . 25.0 105.587 179.293 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.2 mp -113.48 120.03 39.63 Favored 'General case' 0 C--O 1.214 -0.805 0 N-CA-C 109.686 -0.487 . . . . 25.0 109.686 -171.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.6 m -104.92 111.68 24.53 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.295 -0.631 . . . . 25.0 109.295 -178.64 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -77.23 -43.49 16.19 Favored Glycine 0 C--O 1.236 0.256 0 C-N-CA 119.777 -1.201 . . . . 25.0 112.358 -177.262 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 73.78 -164.44 54.78 Favored Glycine 0 C--O 1.243 0.683 0 C-N-CA 120.954 -0.641 . . . . 25.0 111.592 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.2 mp -63.94 155.45 30.82 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.483 -0.562 . . . . 25.0 109.483 178.394 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 92.68 167.96 39.5 Favored Glycine 0 C--O 1.245 0.843 0 N-CA-C 110.109 -1.196 . . . . 25.0 110.109 -178.072 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -84.11 130.04 34.87 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 106.531 -1.655 . . . . 25.0 106.531 178.486 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -126.12 145.61 50.27 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.483 -0.562 . . . . 50.0 109.483 -175.723 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.8 t -122.41 133.31 54.63 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.33 -0.989 . . . . 25.0 108.33 176.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -118.14 130.27 56.01 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 105.977 -1.86 . . . . 25.0 105.977 -176.193 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 59.7 ttt-85 -132.08 148.38 52.49 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.479 0.657 . . . . 25.0 112.4 -174.14 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -67.65 158.57 31.88 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.297 -1.001 . . . . 25.0 108.297 171.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -109.39 -38.53 5.45 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 107.189 -1.412 . . . . 25.0 107.189 167.232 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.2 tp -145.34 170.42 16.36 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.979 -0.749 . . . . 25.0 108.979 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 17.1 ttm180 -59.21 -31.89 69.44 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 121.54 0.686 . . . . 25.0 110.976 176.264 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -74.44 6.81 3.37 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 114.166 1.173 . . . . 25.0 114.166 -178.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.25 -36.02 76.81 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 113.544 0.942 . . . . 25.0 113.544 -178.434 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 38.2 p -149.52 104.09 3.33 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 118.438 0.563 . . . . 25.0 112.023 -176.597 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.427 ' HD2' ' CD1' ' A' ' 128' ' ' PHE . 8.3 t-80 -152.18 160.94 43.29 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.834 0.35 . . . . 25.0 110.286 -178.015 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 22.6 mtm105 -100.68 152.77 20.06 Favored 'General case' 0 C--O 1.216 -0.672 0 N-CA-C 106.952 -1.499 . . . . 25.0 106.952 174.368 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 28.5 t -150.52 158.0 36.09 Favored Pre-proline 0 C--N 1.319 -0.72 0 N-CA-C 106.465 -1.68 . . . . 25.0 106.465 -176.024 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -67.19 -13.7 40.54 Favored 'Trans proline' 0 CA--C 1.538 0.72 0 C-N-CA 115.578 -2.482 . . . . 25.0 112.739 173.44 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.9 mp -76.04 -6.34 50.63 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.396 0.617 . . . . 25.0 110.592 175.34 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 127.23 170.85 12.94 Favored Glycine 0 N--CA 1.45 -0.377 0 N-CA-C 109.117 -1.593 . . . . 25.0 109.117 -178.452 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 9.7 t -85.55 139.65 31.28 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.532 -0.914 . . . . 25.0 108.532 178.488 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.41 ' HA ' ' HB3' ' A' ' 43' ' ' ARG . 97.8 m-85 -117.56 25.36 10.47 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.481 -1.303 . . . . 25.0 107.481 178.093 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.5 t -65.1 144.07 57.48 Favored 'General case' 0 C--O 1.242 0.707 0 CA-C-N 114.325 -1.307 . . . . 25.0 110.004 177.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -95.45 149.34 21.5 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.575 -0.739 . . . . 50.0 109.94 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.9 mp -121.28 130.61 53.75 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 106.002 -1.851 . . . . 25.0 106.002 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 18.8 mt -108.31 139.43 30.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 N-CA-C 106.4 -1.704 . . . . 25.0 106.4 176.337 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 49.9 mt -120.55 151.64 39.14 Favored 'General case' 0 C--N 1.311 -1.071 0 N-CA-C 108.254 -1.017 . . . . 25.0 108.254 -174.442 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 53.8 43.5 30.89 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-O 121.941 0.877 . . . . 25.0 109.384 -178.432 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -91.75 126.44 36.83 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.911 -1.04 . . . . 25.0 111.757 -175.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -96.31 101.99 10.01 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.123 -0.944 . . . . 25.0 109.148 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -67.59 -12.05 34.25 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 117.295 -1.337 . . . . 25.0 114.942 -176.405 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 39.4 t -87.99 -17.22 31.69 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.696 0.999 . . . . 25.0 113.696 177.314 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -132.92 -35.71 1.06 Allowed 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 114.77 1.396 . . . . 25.0 114.77 -170.747 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -78.15 159.39 28.64 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.322 -0.621 . . . . 50.0 109.322 -177.071 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 41.8 tptt -128.31 142.09 51.24 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 112.042 0.386 . . . . 25.0 112.042 -177.059 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 54.8 mt -122.69 110.63 27.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.668 0 C-N-CA 122.83 0.452 . . . . 25.0 110.7 179.209 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.09 114.27 26.06 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.612 0.72 . . . . 25.0 110.07 176.076 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.5 m -137.27 30.43 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 CA-C-N 115.136 -0.938 . . . . 25.0 109.792 -177.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.9 t -63.64 -36.89 85.32 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 113.081 0.771 . . . . 25.0 113.081 -176.11 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.57 -11.22 59.68 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 115.568 1.692 . . . . 25.0 115.568 -174.795 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 46.8 mt -66.85 -47.15 72.83 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 106.279 -1.748 . . . . 25.0 106.279 178.329 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.411 0 CA-C-N 113.624 -1.625 . . . . 25.0 111.498 179.646 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 8.5 m120 . . . . . 0 C--O 1.219 -0.522 0 N-CA-C 109.558 -0.534 . . . . 25.0 109.558 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 79.38 -1.96 73.96 Favored Glycine 0 CA--C 1.523 0.556 0 CA-C-N 116.116 -0.493 . . . . 25.0 114.203 -178.002 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -135.63 161.23 36.12 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.983 -0.747 . . . . 25.0 108.983 -179.335 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 56.38 37.88 29.22 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 113.724 1.009 . . . . 25.0 113.724 177.004 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 84.62 29.21 30.25 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.818 -0.706 . . . . 25.0 113.56 174.481 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 38.8 p -130.69 148.84 52.53 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 106.575 -1.639 . . . . 25.0 106.575 -178.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -94.74 141.4 28.67 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 117.085 2.254 . . . . 25.0 117.085 -168.832 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -146.42 159.79 42.93 Favored 'General case' 0 C--O 1.239 0.537 0 N-CA-C 106.074 -1.825 . . . . 25.0 106.074 169.658 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 7.3 p -124.87 143.31 38.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 104.985 -2.228 . . . . 25.0 104.985 176.559 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 39.4 p -138.2 152.44 48.63 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.654 -0.499 . . . . 25.0 109.654 -174.397 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 49.8 mt . . . . . 0 C--N 1.321 -0.643 0 CA-C-O 121.523 0.677 . . . . 25.0 109.904 -179.888 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 85.2 mtt-85 . . . . . 0 CA--C 1.513 -0.454 0 N-CA-C 106.955 -1.498 . . . . 25.0 106.955 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 7.0 m -135.88 147.38 48.17 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 107.935 -1.135 . . . . 25.0 107.935 -178.706 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -132.62 134.48 44.94 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 110.189 -0.3 . . . . 25.0 110.189 178.565 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 8.4 mp -101.11 132.49 46.54 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 105.584 -2.006 . . . . 25.0 105.584 178.313 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -126.32 147.21 49.77 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.154 0.427 . . . . 25.0 112.154 -174.624 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 34.2 t -135.81 -34.59 0.81 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.637 -1.165 . . . . 25.0 110.383 175.725 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.468 0.44 0 CA-C-N 114.848 -1.069 . . . . 25.0 113.605 -179.075 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 77.4 p . . . . . 0 CA--C 1.513 -0.46 0 N-CA-C 116.971 2.211 . . . . 25.0 116.971 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.427 ' CD1' ' HD2' ' A' ' 64' ' ' HIS . 83.4 m-85 -78.39 111.35 14.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.021 -0.991 . . . . 25.0 108.839 170.326 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -139.61 144.85 37.91 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 109.202 -0.666 . . . . 25.0 109.202 176.583 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.9 mp -136.19 162.05 34.04 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 107.019 -1.474 . . . . 25.0 107.019 179.296 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -137.43 155.33 49.47 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.3 -0.63 . . . . 25.0 109.3 176.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 35.0 mt -131.17 139.41 49.75 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 104.807 -2.294 . . . . 25.0 104.807 177.577 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -126.9 149.51 49.75 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.812 -0.44 . . . . 25.0 109.812 178.527 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 77.21 43.76 15.46 Favored Glycine 0 C--O 1.225 -0.418 0 N-CA-C 110.365 -1.094 . . . . 25.0 110.365 178.367 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 24.9 m120 -96.49 149.4 21.78 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 114.466 1.284 . . . . 25.0 114.466 -172.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -88.51 92.72 9.29 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.251 -1.341 . . . . 25.0 110.801 177.34 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -63.93 -26.45 68.6 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.205 -0.665 . . . . 25.0 109.205 173.764 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -60.67 -26.07 66.82 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.719 -0.673 . . . . 25.0 110.517 176.717 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 69.3 p -125.54 39.47 3.95 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 116.622 -0.263 . . . . 25.0 110.63 177.23 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.2 pp -57.61 137.81 55.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.643 0.735 . . . . 25.0 110.607 -177.076 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 40.8 t -160.46 151.02 18.39 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.291 -1.003 . . . . 25.0 108.291 -177.605 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -108.81 1.06 20.7 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.829 -0.804 . . . . 25.0 108.829 175.227 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -74.45 -14.46 80.95 Favored Glycine 0 C--N 1.332 0.312 0 CA-C-N 116.235 -0.439 . . . . 25.0 113.503 -176.541 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 13.1 p30 -72.38 -18.54 61.73 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 122.267 -0.549 . . . . 25.0 111.149 178.047 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 65.6 mt -77.89 140.91 16.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 104.979 -2.23 . . . . 25.0 104.979 175.795 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 10.2 p -56.96 -31.9 37.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 N-CA-C 112.942 0.719 . . . . 25.0 112.942 179.2 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 . . . . . 0 C--N 1.327 -0.372 0 O-C-N 122.321 -0.237 . . . . 25.0 111.535 177.875 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 . . . . . 0 N--CA 1.484 1.241 0 N-CA-C 114.837 1.421 . . . . 25.0 114.837 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -176.23 -163.56 28.96 Favored Glycine 0 C--N 1.329 0.162 0 N-CA-C 106.84 -2.504 . . . . 25.0 106.84 -177.595 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.3 t -146.9 175.34 10.73 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 118.291 1.045 . . . . 25.0 108.998 -179.11 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -81.3 142.72 32.83 Favored 'General case' 0 C--N 1.321 -0.642 0 O-C-N 121.242 -0.911 . . . . 25.0 109.003 177.547 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 122.53 -177.16 16.54 Favored Glycine 0 C--O 1.223 -0.554 0 N-CA-C 107.337 -2.305 . . . . 25.0 107.337 -172.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 20.5 m-20 -91.02 115.64 28.17 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 119.779 1.789 . . . . 25.0 108.6 179.529 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -111.47 157.72 19.97 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.232 0.539 . . . . 50.0 111.566 -173.02 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 93.5 t -123.4 112.94 35.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 103.41 -2.811 . . . . 25.0 103.41 164.486 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 53.8 mt -119.22 131.91 55.88 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.736 -0.839 . . . . 25.0 108.736 -174.056 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 80.1 mt -129.98 128.28 64.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 107.526 -1.287 . . . . 25.0 107.526 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -86.34 158.29 31.19 Favored Glycine 0 N--CA 1.448 -0.517 0 CA-C-O 121.685 0.603 . . . . 25.0 113.67 -178.731 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.9 t -81.93 178.33 8.36 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.511 -0.922 . . . . 25.0 108.511 176.127 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -74.21 -16.66 60.96 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.784 0.661 . . . . 25.0 112.784 -178.802 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.6 m -78.95 165.79 2.81 Favored 'Isoleucine or valine' 0 C--O 1.239 0.534 0 N-CA-C 109.431 -0.581 . . . . 25.0 109.431 177.268 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.23 140.14 28.0 Favored Glycine 0 CA--C 1.516 0.154 0 N-CA-C 110.903 -0.879 . . . . 25.0 110.903 177.618 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -144.75 167.41 22.64 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.312 0.577 . . . . 50.0 112.475 -175.119 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -115.55 120.5 39.67 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 105.303 -2.11 . . . . 25.0 105.303 167.722 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 74.3 mt -123.43 133.21 69.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 106.513 -1.662 . . . . 25.0 106.513 -175.375 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.8 p -135.8 128.2 30.36 Favored 'General case' 0 C--O 1.215 -0.727 0 N-CA-C 108.58 -0.896 . . . . 25.0 108.58 -178.122 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -81.12 -22.2 61.44 Favored Glycine 0 C--O 1.227 -0.321 0 C-N-CA 120.274 -0.965 . . . . 25.0 112.819 -177.213 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 65.35 -154.93 49.96 Favored Glycine 0 C--O 1.244 0.758 0 N-CA-C 110.727 -0.949 . . . . 25.0 110.727 -177.692 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.13 165.87 24.2 Favored 'General case' 0 C--O 1.245 0.868 0 O-C-N 122.062 -0.67 . . . . 25.0 109.469 178.031 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 89.48 169.46 44.1 Favored Glycine 0 C--O 1.239 0.451 0 CA-C-N 115.261 -0.881 . . . . 25.0 111.819 -179.44 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -92.08 112.5 24.46 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 107.707 -1.22 . . . . 25.0 107.707 -177.651 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -119.18 157.24 28.36 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 113.287 0.847 . . . . 50.0 113.287 -171.579 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 59.5 ttt85 -115.71 123.95 49.61 Favored 'General case' 0 CA--C 1.509 -0.627 0 N-CA-C 105.444 -2.058 . . . . 25.0 105.444 165.005 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.9 mp -111.14 142.56 43.15 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 105.914 -1.884 . . . . 25.0 105.914 178.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.418 ' HA ' ' HB ' ' A' ' 47' ' ' THR . 34.3 t0 -132.5 136.09 46.43 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 104.287 -2.486 . . . . 25.0 104.287 168.3 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -91.47 -22.57 31.28 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 111.025 -0.83 . . . . 25.0 111.025 -179.326 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 67.91 -159.75 50.81 Favored Glycine 0 C--O 1.249 1.087 0 N-CA-C 109.778 -1.329 . . . . 25.0 109.778 -174.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.24 173.06 10.01 Favored 'General case' 0 C--O 1.245 0.856 0 O-C-N 122.086 -0.656 . . . . 25.0 110.143 178.104 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 81.59 166.3 36.67 Favored Glycine 0 C--O 1.238 0.37 0 N-CA-C 110.706 -0.957 . . . . 25.0 110.706 -177.624 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -83.59 132.9 34.88 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 106.918 -1.512 . . . . 25.0 106.918 -179.456 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -135.35 153.56 51.8 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 113.997 1.11 . . . . 50.0 113.997 -172.485 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.2 mp -106.37 125.85 51.51 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 104.832 -2.284 . . . . 25.0 104.832 174.181 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.8 mp -126.59 107.06 9.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.115 0.483 . . . . 25.0 111.297 -177.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -100.62 118.32 36.53 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.926 -0.768 . . . . 25.0 108.926 -178.505 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -68.59 -48.75 48.37 Favored Glycine 0 C--O 1.249 1.054 0 C-N-CA 120.273 -0.965 . . . . 25.0 114.886 -175.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.97 177.0 50.24 Favored Glycine 0 C--O 1.237 0.294 0 N-CA-C 111.2 -0.76 . . . . 25.0 111.2 -176.691 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.64 153.83 15.67 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 122.078 -0.66 . . . . 25.0 110.068 179.017 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 94.55 168.37 36.91 Favored Glycine 0 C--O 1.241 0.566 0 N-CA-C 111.091 -0.804 . . . . 25.0 111.091 -177.132 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.7 ptp85 -90.49 123.37 34.13 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 107.038 -1.467 . . . . 25.0 107.038 -179.672 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -124.0 157.77 33.64 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.258 -0.428 . . . . 50.0 111.505 -171.682 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -123.25 104.81 9.38 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 106.115 -1.809 . . . . 25.0 106.115 179.42 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.5 mp -102.54 113.0 26.0 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.082 -0.508 . . . . 25.0 109.691 -171.349 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.418 ' HB ' ' HA ' ' A' ' 29' ' ' ASP . 11.9 m -102.88 118.66 37.31 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 107.849 -1.167 . . . . 25.0 107.849 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -82.2 -39.38 11.39 Favored Glycine 0 C--O 1.245 0.844 0 C-N-CA 119.539 -1.315 . . . . 25.0 113.008 -176.687 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.52 -163.21 54.27 Favored Glycine 0 C--O 1.244 0.724 0 N-CA-C 110.564 -1.014 . . . . 25.0 110.564 -176.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 85.7 mt -64.47 157.56 26.3 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.004 0.43 . . . . 25.0 111.024 179.145 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 90.57 168.62 42.47 Favored Glycine 0 C--O 1.243 0.711 0 CA-C-N 115.379 -0.828 . . . . 25.0 111.065 -178.569 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.48 128.11 34.25 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 106.667 -1.605 . . . . 25.0 106.667 178.189 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -124.98 141.17 52.3 Favored 'General case' 0 C--N 1.318 -0.795 0 O-C-N 122.057 -0.402 . . . . 50.0 110.381 -175.127 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.1 t -112.35 118.39 35.11 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 107.74 -1.207 . . . . 25.0 107.74 176.676 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -99.33 128.33 45.44 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 106.566 -1.642 . . . . 25.0 106.566 -178.089 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -131.39 152.2 50.85 Favored 'General case' 0 CA--C 1.505 -0.782 0 N-CA-C 115.44 1.645 . . . . 25.0 115.44 -168.565 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -78.1 156.77 29.78 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 113.371 -1.74 . . . . 25.0 107.122 168.041 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -124.05 -3.97 8.03 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.678 -0.86 . . . . 25.0 108.678 168.333 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 32.8 tp -159.36 163.26 35.72 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 105.377 -2.083 . . . . 25.0 105.377 -178.655 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 40.0 ptt180 -69.77 -27.03 64.58 Favored 'General case' 0 C--O 1.21 -0.99 0 CA-C-N 119.327 0.967 . . . . 25.0 109.982 175.176 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -88.52 10.83 18.94 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.906 0.86 . . . . 25.0 111.374 -174.385 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -61.19 -35.46 77.21 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.212 -0.904 . . . . 25.0 112.802 -178.762 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.1 t -144.72 104.41 4.02 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.61 0.719 . . . . 25.0 110.115 -179.582 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -145.96 156.72 43.7 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.25 -1.018 . . . . 25.0 108.25 -172.596 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 49.9 mtm-85 -130.49 134.14 46.83 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 119.066 0.848 . . . . 25.0 110.405 175.527 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 24.5 t -124.88 154.8 70.9 Favored Pre-proline 0 C--N 1.324 -0.534 0 N-CA-C 106.673 -1.602 . . . . 25.0 106.673 -178.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -67.45 -15.55 45.57 Favored 'Trans proline' 0 CA--C 1.536 0.615 0 C-N-CA 115.996 -2.203 . . . . 25.0 112.696 173.6 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.8 mp -78.65 -9.4 59.38 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 120.885 0.374 . . . . 25.0 110.545 176.506 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 152.36 150.37 5.36 Favored Glycine 0 N--CA 1.451 -0.344 0 CA-C-O 121.663 0.591 . . . . 25.0 111.932 179.375 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.4 t -85.77 141.54 29.6 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.091 -0.707 . . . . 25.0 109.091 178.665 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -124.65 12.58 8.61 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 107.21 -1.404 . . . . 25.0 107.21 175.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 87.5 p -73.0 143.12 47.7 Favored 'General case' 0 C--O 1.244 0.783 0 CA-C-O 121.373 0.606 . . . . 25.0 110.14 -176.21 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -82.57 156.23 24.07 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.207 -0.906 . . . . 50.0 109.243 178.309 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.1 mp -120.91 127.81 52.2 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 105.076 -2.194 . . . . 25.0 105.076 177.391 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 39.5 mt -100.24 140.89 18.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 105.679 -1.971 . . . . 25.0 105.679 175.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -122.99 146.44 47.62 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 107.659 -1.238 . . . . 25.0 107.659 -174.427 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 53.47 44.18 30.28 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 122.452 1.12 . . . . 25.0 110.941 176.286 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -80.66 129.65 34.64 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.329 -1.305 . . . . 25.0 109.816 179.54 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -97.87 104.81 23.54 Favored Pre-proline 0 C--N 1.324 -0.521 0 N-CA-C 109.244 -0.65 . . . . 25.0 109.244 178.503 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -73.05 4.33 3.82 Favored 'Trans proline' 0 C--N 1.343 0.285 0 N-CA-C 114.998 1.115 . . . . 25.0 114.998 -177.159 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 26.5 t -102.32 -8.01 21.58 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 122.192 0.197 . . . . 25.0 111.427 176.601 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -144.48 -35.8 0.34 Allowed 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 115.351 1.611 . . . . 25.0 115.351 -173.339 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -80.42 153.49 28.23 Favored 'General case' 0 C--N 1.322 -0.589 0 O-C-N 122.213 -0.305 . . . . 50.0 110.769 -173.037 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 39.8 tptt -131.66 150.24 52.22 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 109.887 -0.412 . . . . 25.0 109.887 -175.624 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 43.7 mt -123.6 119.9 58.5 Favored 'Isoleucine or valine' 0 C--O 1.241 0.655 0 N-CA-C 109.375 -0.602 . . . . 25.0 109.375 179.122 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -90.99 129.01 37.04 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.937 -1.134 . . . . 25.0 107.937 177.8 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 31.2 m -133.42 21.51 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 CA-C-O 121.482 0.658 . . . . 25.0 111.849 -176.636 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 25.1 t -55.97 -40.18 72.87 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 114.324 1.231 . . . . 25.0 114.324 -174.647 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.61 -13.06 61.29 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 113.501 0.926 . . . . 25.0 113.501 -179.138 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 14.0 mt -87.9 -33.09 18.62 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 106.07 -1.826 . . . . 25.0 106.07 -179.341 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.354 0 N-CA-C 116.792 1.477 . . . . 25.0 116.792 168.427 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 . . . . . 0 N--CA 1.467 0.416 0 N-CA-C 108.751 -0.833 . . . . 25.0 108.751 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 85.15 1.08 88.63 Favored Glycine 0 N--CA 1.459 0.231 0 CA-C-N 115.953 -0.567 . . . . 25.0 114.337 179.471 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -140.76 158.01 44.59 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.654 -0.869 . . . . 25.0 108.654 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 56.02 48.89 16.82 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 113.944 1.09 . . . . 25.0 113.944 175.605 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 83.41 10.72 81.58 Favored Glycine 0 CA--C 1.51 -0.219 0 C-N-CA 120.693 -0.765 . . . . 25.0 114.108 172.506 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 21.1 p -118.54 131.02 56.23 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.907 -1.146 . . . . 25.0 107.907 -177.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -94.6 124.32 38.57 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 116.122 1.897 . . . . 25.0 116.122 -169.34 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -119.57 166.67 12.85 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 109.039 -0.726 . . . . 25.0 109.039 173.229 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 8.6 p -125.66 152.21 32.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 108.565 -0.902 . . . . 25.0 108.565 -177.68 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 38.2 m -143.0 161.55 37.81 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 107.366 -1.346 . . . . 25.0 107.366 179.301 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 26.6 mt . . . . . 0 C--N 1.322 -0.604 0 N-CA-C 109.641 -0.503 . . . . 25.0 109.641 -179.346 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 82.2 mtt85 . . . . . 0 CA--C 1.506 -0.718 0 N-CA-C 109.348 -0.612 . . . . 25.0 109.348 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 4.5 m -134.15 150.02 51.08 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 106.939 -1.504 . . . . 25.0 106.939 -178.271 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -133.33 144.75 49.85 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.108 -1.071 . . . . 25.0 108.108 -178.231 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 8.2 mp -124.62 132.93 53.4 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 106.507 -1.664 . . . . 25.0 106.507 179.212 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 67.0 tttt -138.75 132.16 30.28 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 111.518 0.192 . . . . 25.0 111.518 -176.605 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.2 t -120.25 -27.17 5.31 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 123.776 0.673 . . . . 25.0 111.489 176.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 5.4 t80 . . . . . 0 N--CA 1.472 0.667 0 CA-C-O 122.537 1.16 . . . . 25.0 112.761 177.866 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 56.9 p . . . . . 0 CA--C 1.515 -0.372 0 N-CA-C 110.338 -0.245 . . . . 25.0 110.338 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -126.62 138.57 53.46 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.623 -0.88 . . . . 25.0 108.623 178.211 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -147.3 151.47 36.65 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.148 -1.056 . . . . 25.0 108.148 -175.171 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 2.2 mt -132.85 169.06 17.3 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 122.854 0.462 . . . . 25.0 111.26 -175.513 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -148.21 160.33 43.05 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.747 -0.834 . . . . 25.0 108.747 175.685 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 40.8 mt -138.32 139.49 39.11 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 105.586 -2.005 . . . . 25.0 105.586 179.503 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.98 144.79 51.74 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 106.708 -1.589 . . . . 25.0 106.708 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 56.95 50.1 66.52 Favored Glycine 0 C--O 1.228 -0.249 0 C-N-CA 120.356 -0.926 . . . . 25.0 112.173 176.61 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -107.6 161.48 14.82 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 122.372 -0.487 . . . . 25.0 109.982 -176.782 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 71.1 m80 -77.43 67.7 3.41 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.982 -0.748 . . . . 25.0 108.982 172.47 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -61.29 -29.94 70.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.942 -0.572 . . . . 25.0 110.278 -179.405 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.05 -26.76 67.85 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.928 -0.578 . . . . 25.0 111.684 178.064 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 66.8 p -126.3 26.8 6.35 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 111.943 0.349 . . . . 25.0 111.943 -179.68 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.4 pp -64.43 154.04 36.9 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.414 0.626 . . . . 25.0 111.835 -175.196 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 99.5 p -149.93 142.93 24.9 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.784 -0.821 . . . . 25.0 108.784 176.641 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -86.09 -4.93 59.27 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 121.107 0.48 . . . . 25.0 111.466 -178.084 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -67.62 -10.84 58.88 Favored Glycine 0 C--O 1.227 -0.325 0 C-N-CA 121.29 -0.481 . . . . 25.0 114.031 -178.136 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -87.64 -6.24 58.36 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 112.563 0.579 . . . . 25.0 112.563 -178.351 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 84.7 mt -74.67 144.1 12.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 102.565 -3.124 . . . . 25.0 102.565 170.109 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 4.4 p -53.05 -32.96 19.06 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 N-CA-C 113.466 0.913 . . . . 25.0 113.466 -176.25 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 . . . . . 0 C--N 1.329 -0.311 0 N-CA-C 113.54 0.941 . . . . 25.0 113.54 -179.481 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 . . . . . 0 N--CA 1.482 1.16 0 N-CA-C 113.924 1.083 . . . . 25.0 113.924 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -172.18 -161.4 22.62 Favored Glycine 0 C--O 1.235 0.161 0 N-CA-C 107.538 -2.225 . . . . 25.0 107.538 179.422 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.3 t -148.96 173.43 13.34 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 107.414 -1.328 . . . . 25.0 107.414 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -81.91 148.72 28.61 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 119.17 0.895 . . . . 25.0 109.206 177.381 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 117.16 -176.0 15.98 Favored Glycine 0 C--O 1.224 -0.492 0 N-CA-C 107.685 -2.166 . . . . 25.0 107.685 -172.409 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 46.9 m-20 -91.44 105.75 17.99 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 119.344 1.572 . . . . 25.0 108.994 -179.396 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -95.74 154.38 17.25 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.663 0.268 . . . . 50.0 110.964 -173.55 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 65.3 t -129.12 103.37 9.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 104.492 -2.41 . . . . 25.0 104.492 167.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 64.5 mt -123.12 139.43 54.07 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.222 -0.445 . . . . 25.0 111.089 -172.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 89.3 mt -129.37 126.88 64.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 105.715 -1.958 . . . . 25.0 105.715 176.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -77.81 158.13 46.3 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.965 -0.636 . . . . 25.0 113.077 -177.758 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.5 t -77.21 174.94 10.17 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 107.775 -1.195 . . . . 25.0 107.775 176.218 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -76.23 -10.3 59.3 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 112.729 0.641 . . . . 25.0 112.729 -178.051 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.7 m -79.93 166.0 2.65 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 N-CA-C 109.217 -0.66 . . . . 25.0 109.217 175.473 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.47 139.75 27.13 Favored Glycine 0 CA--C 1.516 0.124 0 N-CA-C 111.028 -0.829 . . . . 25.0 111.028 177.797 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -146.84 163.9 34.56 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 113.381 0.882 . . . . 50.0 113.381 -174.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -108.6 124.27 50.23 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 104.059 -2.571 . . . . 25.0 104.059 161.581 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 58.2 mt -124.39 120.14 58.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 N-CA-C 105.536 -2.024 . . . . 25.0 105.536 -178.423 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 45.6 p -120.07 142.49 48.82 Favored 'General case' 0 C--O 1.214 -0.815 0 N-CA-C 108.552 -0.907 . . . . 25.0 108.552 -175.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -97.51 -22.34 16.84 Favored Glycine 0 C--O 1.225 -0.413 0 C-N-CA 120.421 -0.895 . . . . 25.0 112.246 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 62.55 -148.22 49.34 Favored Glycine 0 C--O 1.244 0.773 0 C-N-CA 120.252 -0.975 . . . . 25.0 110.792 -178.112 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.54 162.39 28.83 Favored 'General case' 0 C--O 1.245 0.867 0 CA-C-O 121.358 0.599 . . . . 25.0 109.813 178.264 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.05 167.6 37.43 Favored Glycine 0 C--O 1.239 0.408 0 CA-C-N 115.061 -0.972 . . . . 25.0 112.353 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -91.42 101.4 14.08 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.04 -1.096 . . . . 25.0 108.04 -178.387 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -106.84 164.16 12.34 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 113.654 0.983 . . . . 50.0 113.654 -170.714 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -124.52 123.29 39.79 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 105.074 -2.195 . . . . 25.0 105.074 168.357 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 62.6 mt -122.37 137.74 54.76 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.772 -0.825 . . . . 25.0 108.772 -176.235 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -131.62 140.28 49.35 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 105.544 -2.021 . . . . 25.0 105.544 174.465 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -87.73 -25.99 30.92 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 121.355 -0.45 . . . . 25.0 112.397 -179.597 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 68.12 -158.3 52.05 Favored Glycine 0 C--O 1.245 0.833 0 N-CA-C 108.48 -1.848 . . . . 25.0 108.48 -172.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.2 176.37 8.14 Favored 'General case' 0 C--O 1.247 0.969 0 CA-C-N 118.325 1.062 . . . . 25.0 109.89 177.166 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.5 167.84 35.06 Favored Glycine 0 C--O 1.237 0.326 0 N-CA-C 110.17 -1.172 . . . . 25.0 110.17 -176.567 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -83.79 138.07 33.42 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 107.508 -1.293 . . . . 25.0 107.508 -179.446 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -139.64 147.84 41.59 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 114.662 1.356 . . . . 50.0 114.662 -173.789 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.2 mp -102.37 124.39 47.86 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 104.694 -2.336 . . . . 25.0 104.694 170.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 19.0 mt -115.24 107.01 14.72 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 107.744 -1.206 . . . . 25.0 107.744 178.25 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -105.05 94.22 5.12 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.307 -0.861 . . . . 25.0 109.754 -173.054 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -57.28 -49.31 73.58 Favored Glycine 0 C--O 1.247 0.968 0 N-CA-C 116.995 1.558 . . . . 25.0 116.995 -172.139 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.21 179.0 50.1 Favored Glycine 0 CA--C 1.519 0.328 0 O-C-N 122.002 -0.705 . . . . 25.0 112.414 -177.416 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.57 149.49 13.76 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 122.497 -0.413 . . . . 25.0 110.765 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 95.25 163.87 34.71 Favored Glycine 0 C--O 1.243 0.69 0 N-CA-C 110.49 -1.044 . . . . 25.0 110.49 -176.846 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.2 ptp85 -89.31 126.6 35.59 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 106.661 -1.607 . . . . 25.0 106.661 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -123.66 160.37 27.31 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.982 -0.554 . . . . 50.0 110.456 -171.477 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.36 111.89 18.32 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 107.31 -1.367 . . . . 25.0 107.31 178.655 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.9 mp -109.16 135.01 50.99 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.789 0.328 . . . . 25.0 111.311 -172.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 28.4 m -129.5 126.22 38.14 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.312 -0.995 . . . . 25.0 108.312 177.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -82.64 -43.07 7.99 Favored Glycine 0 C--O 1.242 0.607 0 C-N-CA 119.925 -1.131 . . . . 25.0 114.859 -175.518 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.4 -164.05 54.57 Favored Glycine 0 C--O 1.24 0.47 0 N-CA-C 110.27 -1.132 . . . . 25.0 110.27 -175.589 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 84.3 mt -66.48 160.27 25.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 122.656 -0.32 . . . . 25.0 110.571 178.778 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 87.42 174.29 48.53 Favored Glycine 0 C--O 1.238 0.371 0 N-CA-C 110.302 -1.119 . . . . 25.0 110.302 -177.367 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.75 134.34 33.96 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 107.127 -1.434 . . . . 25.0 107.127 177.616 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -133.78 142.36 47.86 Favored 'General case' 0 C--N 1.319 -0.719 0 O-C-N 121.718 -0.614 . . . . 50.0 110.832 -175.024 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.9 t -113.86 123.2 49.22 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 122.26 1.029 . . . . 25.0 110.659 173.639 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -89.59 99.79 12.72 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 103.1 -2.926 . . . . 25.0 103.1 176.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 68.7 ttt-85 -120.05 149.54 42.01 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 113.849 1.055 . . . . 25.0 113.849 -160.054 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -66.08 156.37 34.06 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.502 -1.226 . . . . 25.0 110.879 173.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -129.85 -27.76 2.28 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.573 -0.899 . . . . 25.0 108.573 168.015 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 44.5 tp -145.87 156.59 43.65 Favored 'General case' 0 C--O 1.216 -0.675 0 N-CA-C 106.903 -1.518 . . . . 25.0 106.903 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 40.6 ptt180 -62.29 -24.51 67.34 Favored 'General case' 0 C--O 1.214 -0.787 0 CA-C-O 121.307 0.575 . . . . 25.0 112.472 178.333 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -87.2 11.84 13.14 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.323 0.582 . . . . 25.0 112.324 -177.539 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.58 -41.25 73.09 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 115.362 1.616 . . . . 25.0 115.362 -176.239 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 34.6 p -148.75 106.61 3.69 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.636 -0.505 . . . . 25.0 109.636 -176.488 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.477 ' HD2' ' O ' ' A' ' 65' ' ' ARG . 16.6 t60 -151.53 172.93 15.24 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.659 0.266 . . . . 25.0 110.313 -174.59 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.477 ' O ' ' HD2' ' A' ' 64' ' ' HIS . 37.5 mmt180 -104.06 159.05 15.99 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 107.864 -1.161 . . . . 25.0 107.864 174.806 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 28.0 t -151.85 154.89 33.41 Favored Pre-proline 0 C--N 1.319 -0.752 0 N-CA-C 106.221 -1.77 . . . . 25.0 106.221 178.766 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -67.33 -14.28 42.27 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 115.843 -2.304 . . . . 25.0 112.139 173.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 76.0 mt -81.87 -0.67 44.68 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 122.751 0.42 . . . . 25.0 111.686 177.539 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 127.89 171.99 13.13 Favored Glycine 0 C--O 1.226 -0.392 0 N-CA-C 110.472 -1.051 . . . . 25.0 110.472 -178.69 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 13.7 t -82.06 148.59 28.51 Favored 'General case' 0 C--N 1.321 -0.66 0 O-C-N 121.756 -0.849 . . . . 25.0 109.557 179.462 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -125.95 23.56 7.18 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 106.273 -1.751 . . . . 25.0 106.273 176.214 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 26.0 p -64.33 139.15 58.74 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.985 -1.007 . . . . 25.0 109.805 178.479 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -82.29 155.94 24.57 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-O 120.927 0.394 . . . . 50.0 110.188 177.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.1 mp -120.81 129.67 53.66 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.955 -1.021 . . . . 25.0 108.507 179.414 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 11.6 mt -108.01 146.28 14.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 N-CA-C 105.61 -1.996 . . . . 25.0 105.61 174.259 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -81.13 170.17 16.5 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 106.924 -1.51 . . . . 25.0 106.924 174.546 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -56.18 138.13 50.56 Favored 'General case' 0 C--O 1.242 0.705 0 N-CA-C 108.079 -1.082 . . . . 25.0 108.079 175.152 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 25.1 p90 -142.1 -171.48 3.38 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 113.468 0.914 . . . . 25.0 113.468 -174.424 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -99.36 90.21 1.13 Allowed Pre-proline 0 N--CA 1.474 0.743 0 C-N-CA 123.086 0.554 . . . . 25.0 110.69 -176.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -73.05 1.09 6.94 Favored 'Trans proline' 0 CA--C 1.533 0.458 0 N-CA-C 115.242 1.208 . . . . 25.0 115.242 -174.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 34.4 t -87.51 -9.33 54.81 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 122.324 -0.235 . . . . 25.0 110.663 174.179 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -137.68 -31.94 0.77 Allowed 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 113.685 0.994 . . . . 25.0 113.685 -174.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -85.55 174.68 9.28 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.109 0.481 . . . . 50.0 111.404 -173.642 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 51.3 tptt -147.95 146.28 28.92 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.918 -0.583 . . . . 25.0 110.774 -169.372 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 73.4 mt -116.91 112.08 37.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 106.205 -1.776 . . . . 25.0 106.205 172.434 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -110.4 111.59 22.97 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.343 0.592 . . . . 25.0 109.959 -177.187 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 15.3 m -125.5 21.45 3.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 CA-C-N 115.377 -0.829 . . . . 25.0 111.709 -176.245 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.7 t -55.65 -41.83 74.16 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 114.349 1.24 . . . . 25.0 114.349 -175.221 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -76.2 -3.76 38.1 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 115.424 1.639 . . . . 25.0 115.424 -174.738 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 25.3 mt -75.54 -43.58 48.01 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 105.413 -2.069 . . . . 25.0 105.413 176.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.636 0 CA-C-N 113.102 -1.863 . . . . 25.0 112.701 176.517 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 15.2 m120 . . . . . 0 CA--C 1.536 0.439 0 CA-C-O 120.703 0.287 . . . . 25.0 110.319 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 81.08 -2.44 81.13 Favored Glycine 0 N--CA 1.46 0.254 0 N-CA-C 117.067 1.587 . . . . 25.0 117.067 177.424 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -141.09 152.74 45.02 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 117.296 0.548 . . . . 25.0 111.022 -177.522 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 54.8 48.73 19.47 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 114.039 1.126 . . . . 25.0 114.039 175.259 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 84.98 19.95 58.48 Favored Glycine 0 CA--C 1.51 -0.226 0 C-N-CA 120.391 -0.909 . . . . 25.0 113.528 174.636 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 30.1 p -128.61 139.91 52.03 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 105.869 -1.901 . . . . 25.0 105.869 179.271 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 22.2 mt -90.07 163.38 14.91 Favored 'General case' 0 C--O 1.217 -0.654 0 N-CA-C 115.761 1.763 . . . . 25.0 115.761 -171.064 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -153.46 164.27 38.5 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 106.383 -1.71 . . . . 25.0 106.383 172.298 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 10.7 p -122.36 152.14 26.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 106.039 -1.837 . . . . 25.0 106.039 177.117 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 47.0 m -146.46 161.75 39.74 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 107.758 -1.201 . . . . 25.0 107.758 178.813 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 41.1 mt . . . . . 0 C--N 1.322 -0.587 0 N-CA-C 107.907 -1.145 . . . . 25.0 107.907 179.507 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 3.5 mmt85 . . . . . 0 CA--C 1.511 -0.545 0 N-CA-C 108.511 -0.922 . . . . 25.0 108.511 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 6.1 m -127.13 141.62 51.71 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 107.911 -1.144 . . . . 25.0 107.911 177.732 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -129.04 151.41 49.76 Favored 'General case' 0 C--N 1.32 -0.694 0 O-C-N 121.741 -0.599 . . . . 25.0 110.487 -175.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 86.7 mt -126.99 135.29 50.65 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 106.545 -1.65 . . . . 25.0 106.545 174.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -143.97 136.81 27.25 Favored 'General case' 0 C--O 1.22 -0.469 0 N-CA-C 113.222 0.823 . . . . 25.0 113.222 -174.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.2 t -112.97 -17.21 12.52 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 112.816 0.673 . . . . 25.0 112.816 176.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 10.0 t80 . . . . . 0 N--CA 1.477 0.907 0 N-CA-C 114.451 1.278 . . . . 25.0 114.451 -170.098 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 41.3 t . . . . . 0 CA--C 1.514 -0.437 0 N-CA-C 113.749 1.018 . . . . 25.0 113.749 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -70.54 107.29 3.8 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 107.656 -1.239 . . . . 25.0 107.656 170.398 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -136.73 150.51 48.47 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.241 -0.651 . . . . 25.0 109.241 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 5.7 mp -131.46 153.53 49.65 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 107.208 -1.405 . . . . 25.0 107.208 177.58 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -140.88 103.59 4.52 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 106.628 -1.619 . . . . 25.0 106.628 178.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -117.44 174.04 6.36 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.551 -0.537 . . . . 25.0 109.551 -174.386 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -75.58 -162.92 0.22 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.173 -0.467 . . . . 25.0 110.965 -179.185 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -76.57 -170.61 31.97 Favored Glycine 0 N--CA 1.452 -0.244 0 N-CA-C 111.406 -0.678 . . . . 25.0 111.406 -178.414 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -161.26 164.09 30.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 121.973 -0.722 . . . . 25.0 111.523 -178.838 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 74.9 m80 -78.05 81.74 4.42 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-O 121.097 0.475 . . . . 25.0 109.759 175.432 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -60.25 -29.3 68.68 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.092 -0.706 . . . . 25.0 109.092 176.249 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -60.15 -24.57 64.83 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 115.633 -0.712 . . . . 25.0 111.681 176.121 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 51.8 p -122.23 27.94 7.72 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 112.209 0.448 . . . . 25.0 112.209 178.293 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.7 pp -66.88 159.52 28.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.345 0.593 . . . . 25.0 111.687 -177.293 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 83.1 p -140.33 147.52 39.98 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.197 -1.038 . . . . 25.0 108.197 174.374 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -70.72 -12.75 61.74 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.179 0.514 . . . . 25.0 112.143 -177.752 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -88.68 9.01 77.76 Favored Glycine 0 C--O 1.225 -0.434 0 N-CA-C 114.373 0.509 . . . . 25.0 114.373 -177.276 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -58.4 -45.6 88.06 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 114.411 1.263 . . . . 25.0 114.411 -175.549 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 49.1 pt -90.09 161.0 2.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.199 -0.667 . . . . 25.0 109.199 -179.447 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 10.0 p -58.46 -27.79 34.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 N-CA-C 113.673 0.99 . . . . 25.0 113.673 -176.462 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 . . . . . 0 C--N 1.326 -0.423 0 N-CA-C 112.671 0.619 . . . . 25.0 112.671 -179.323 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 118.528 -0.749 . . . . 25.0 109.742 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 62.87 177.81 0.15 Allowed 'General case' 0 N--CA 1.477 0.891 0 O-C-N 124.657 1.223 . . . . 25.0 109.676 -172.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -103.75 178.72 25.1 Favored Glycine 0 N--CA 1.451 -0.307 0 N-CA-C 111.643 -0.583 . . . . 25.0 111.643 -178.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.8 t -133.64 -171.49 2.73 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 106.309 -1.737 . . . . 25.0 106.309 179.515 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -75.49 140.39 42.78 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 108.061 -1.088 . . . . 25.0 108.061 178.214 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.49 -175.91 19.17 Favored Glycine 0 C--N 1.323 -0.174 0 N-CA-C 107.371 -2.292 . . . . 25.0 107.371 -170.107 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -89.03 139.27 30.62 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 119.061 1.431 . . . . 25.0 110.345 -176.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -132.94 152.75 51.87 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-O 121.171 0.51 . . . . 50.0 111.513 -178.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 96.0 t -124.57 114.24 39.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 104.189 -2.522 . . . . 25.0 104.189 170.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 67.9 mt -119.31 133.13 55.89 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.294 -0.632 . . . . 25.0 109.294 -173.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 71.5 mt -126.66 123.7 63.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 108.269 -1.012 . . . . 25.0 108.269 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -87.71 156.77 28.06 Favored Glycine 0 N--CA 1.451 -0.328 0 CA-C-O 121.569 0.538 . . . . 25.0 112.705 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 88.4 p -90.0 -179.1 5.62 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 123.805 0.842 . . . . 25.0 110.786 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -63.82 -26.51 68.66 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 115.498 1.666 . . . . 25.0 115.498 -177.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.9 m -79.23 166.1 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.779 -0.452 . . . . 25.0 109.779 -178.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.46 139.15 28.62 Favored Glycine 0 N--CA 1.453 -0.191 0 N-CA-C 109.991 -1.244 . . . . 25.0 109.991 176.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -141.97 160.99 39.1 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 117.304 0.552 . . . . 50.0 111.395 -173.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -117.57 115.62 25.48 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 105.619 -1.993 . . . . 25.0 105.619 173.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 53.2 mt -127.19 124.37 64.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.59 -0.277 . . . . 25.0 110.339 -172.22 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 69.6 p -115.58 142.56 46.56 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.887 -0.783 . . . . 25.0 108.887 174.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.62 -21.84 35.86 Favored Glycine 0 C--O 1.24 0.497 0 C-N-CA 121.201 -0.523 . . . . 25.0 114.077 -178.104 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 74.92 -164.7 54.61 Favored Glycine 0 C--O 1.248 1.001 0 O-C-N 122.201 -0.587 . . . . 25.0 111.764 -176.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.9 170.74 13.1 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 121.802 -0.822 . . . . 25.0 108.968 177.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.73 175.66 49.4 Favored Glycine 0 C--O 1.241 0.578 0 CA-C-N 116.435 -0.348 . . . . 25.0 113.453 178.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -85.85 115.12 23.29 Favored 'General case' 0 CA--C 1.512 -0.488 0 N-CA-C 108.78 -0.822 . . . . 25.0 108.78 -178.428 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -125.66 153.86 43.21 Favored 'General case' 0 C--O 1.241 0.649 0 N-CA-C 113.351 0.871 . . . . 50.0 113.351 -174.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 45.0 ttt85 -113.93 130.58 56.5 Favored 'General case' 0 CA--C 1.509 -0.612 0 N-CA-C 105.504 -2.036 . . . . 25.0 105.504 167.108 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.2 mp -118.51 133.89 55.51 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 106.66 -1.607 . . . . 25.0 106.66 176.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -125.25 135.3 52.4 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 105.912 -1.884 . . . . 25.0 105.912 177.101 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -103.17 -30.53 5.35 Favored Glycine 0 C--N 1.32 -0.321 0 N-CA-C 114.694 0.638 . . . . 25.0 114.694 -175.357 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 67.28 -154.93 52.89 Favored Glycine 0 C--O 1.246 0.878 0 C-N-CA 120.408 -0.901 . . . . 25.0 111.604 -176.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.89 175.31 6.68 Favored 'General case' 0 C--O 1.248 0.987 0 O-C-N 122.225 -0.573 . . . . 25.0 109.926 178.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 81.08 161.22 26.1 Favored Glycine 0 C--O 1.241 0.544 0 N-CA-C 111.08 -0.808 . . . . 25.0 111.08 -178.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -84.36 124.02 30.83 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 106.293 -1.743 . . . . 25.0 106.293 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -124.26 151.53 44.08 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 113.246 0.832 . . . . 50.0 113.246 -171.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 mp -111.81 124.93 53.4 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 106.867 -1.531 . . . . 25.0 106.867 175.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.1 mp -124.97 114.89 19.73 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.703 0.631 . . . . 25.0 112.703 -175.095 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -105.02 116.47 32.0 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 116.028 -0.533 . . . . 25.0 109.821 179.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -66.94 -45.18 85.74 Favored Glycine 0 C--O 1.248 1.001 0 C-N-CA 120.488 -0.863 . . . . 25.0 115.218 -177.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.98 174.57 42.95 Favored Glycine 0 CA--C 1.519 0.294 0 N-CA-C 111.191 -0.764 . . . . 25.0 111.191 -177.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.84 153.85 10.23 Favored 'General case' 0 C--O 1.238 0.448 0 O-C-N 121.962 -0.728 . . . . 25.0 111.541 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 88.46 167.94 43.69 Favored Glycine 0 C--O 1.239 0.451 0 N-CA-C 110.795 -0.922 . . . . 25.0 110.795 -175.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.0 ptp85 -80.98 145.12 31.36 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 107.389 -1.337 . . . . 25.0 107.389 178.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -140.17 162.88 34.18 Favored 'General case' 0 C--N 1.317 -0.844 0 O-C-N 122.029 -0.42 . . . . 50.0 111.53 -175.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -127.61 115.59 19.01 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 106.235 -1.765 . . . . 25.0 106.235 177.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.8 mp -113.47 127.93 56.27 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.636 0.255 . . . . 25.0 111.253 -172.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.51 115.32 23.21 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.355 -0.98 . . . . 25.0 108.355 -179.03 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -80.36 -40.87 12.4 Favored Glycine 0 N--CA 1.462 0.41 0 C-N-CA 120.288 -0.958 . . . . 25.0 115.377 -175.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.66 -166.79 54.86 Favored Glycine 0 C--O 1.242 0.632 0 C-N-CA 120.775 -0.726 . . . . 25.0 111.505 -175.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 74.4 mt -62.34 157.91 18.68 Favored 'General case' 0 C--O 1.241 0.629 0 C-N-CA 122.618 0.367 . . . . 25.0 111.242 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 91.25 168.59 41.68 Favored Glycine 0 C--O 1.244 0.729 0 N-CA-C 110.725 -0.95 . . . . 25.0 110.725 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.69 125.34 31.77 Favored 'General case' 0 C--O 1.217 -0.619 0 N-CA-C 106.028 -1.842 . . . . 25.0 106.028 177.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -124.64 146.93 48.83 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 109.4 -0.592 . . . . 50.0 109.4 -175.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.6 t -119.59 133.23 55.75 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 108.361 -0.978 . . . . 25.0 108.361 177.154 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -113.67 124.22 51.78 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 106.22 -1.77 . . . . 25.0 106.22 -178.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 40.0 ttt85 -131.35 152.84 50.23 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 113.717 1.006 . . . . 25.0 113.717 -171.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 28.7 p90 -70.26 155.79 40.16 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.166 -1.379 . . . . 25.0 107.864 167.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -122.68 -19.21 6.34 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 108.973 -0.751 . . . . 25.0 108.973 169.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -129.03 164.01 24.15 Favored 'General case' 0 C--O 1.221 -0.432 0 N-CA-C 107.7 -1.222 . . . . 25.0 107.7 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 37.4 ptt180 -75.31 -16.62 60.4 Favored 'General case' 0 C--O 1.21 -1.013 0 CA-C-O 121.542 0.687 . . . . 25.0 109.991 173.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -106.73 13.35 28.12 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.604 0.716 . . . . 25.0 110.195 -176.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -57.24 -33.07 67.2 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 115.058 1.503 . . . . 25.0 115.058 -173.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 36.8 p -145.82 97.85 3.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.793 0.33 . . . . 25.0 111.228 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -142.07 166.65 24.11 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.933 -0.395 . . . . 25.0 109.933 177.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -132.67 153.03 51.5 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 107.479 -1.304 . . . . 25.0 107.479 178.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 94.5 p -155.59 169.13 10.86 Favored Pre-proline 0 C--N 1.318 -0.761 0 N-CA-C 106.237 -1.764 . . . . 25.0 106.237 -175.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -69.9 -10.63 28.9 Favored 'Trans proline' 0 CA--C 1.538 0.676 0 C-N-CA 116.12 -2.12 . . . . 25.0 112.852 175.075 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 70.0 mt -79.85 -6.09 56.71 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 120.994 0.426 . . . . 25.0 110.509 177.294 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 135.65 169.86 11.94 Favored Glycine 0 N--CA 1.45 -0.373 0 CA-C-O 121.799 0.666 . . . . 25.0 112.641 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.1 t -95.86 138.29 33.71 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.594 -0.891 . . . . 25.0 108.594 177.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -131.13 20.45 4.88 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 106.901 -1.518 . . . . 25.0 106.901 178.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 85.1 p -78.11 158.95 28.93 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 115.531 -0.759 . . . . 25.0 110.589 -178.307 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -98.52 155.49 17.25 Favored 'General case' 0 C--O 1.241 0.637 0 CA-C-O 120.913 0.387 . . . . 50.0 110.692 178.056 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.4 mp -124.34 135.56 53.42 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 106.674 -1.602 . . . . 25.0 106.674 177.078 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 56.6 mt -107.93 145.04 15.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 N-CA-C 103.289 -2.856 . . . . 25.0 103.289 175.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 83.1 mt -110.61 136.69 49.33 Favored 'General case' 0 C--N 1.318 -0.782 0 O-C-N 123.851 0.719 . . . . 25.0 111.36 -172.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 65.78 -60.24 0.29 Allowed 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 126.316 1.847 . . . . 25.0 114.894 176.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 28.2 t80 59.2 131.48 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 117.484 2.402 . . . . 25.0 117.484 173.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -102.12 96.06 6.48 Favored Pre-proline 0 N--CA 1.473 0.713 0 O-C-N 121.29 -0.881 . . . . 25.0 109.43 176.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -68.94 -10.93 30.53 Favored 'Trans proline' 0 C--N 1.348 0.5 0 N-CA-C 115.135 1.167 . . . . 25.0 115.135 -176.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 41.0 t -79.38 -14.46 58.95 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 121.82 -0.55 . . . . 25.0 112.318 176.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -137.95 -33.29 0.71 Allowed 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 115.544 1.683 . . . . 25.0 115.544 -170.208 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -85.8 158.53 19.96 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 113.788 1.032 . . . . 50.0 113.788 -169.361 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 45.3 tptt -129.12 144.37 51.18 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.382 0.673 . . . . 25.0 111.478 -176.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 51.5 mt -127.08 127.01 69.15 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 N-CA-C 107.603 -1.258 . . . . 25.0 107.603 177.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -111.0 131.77 54.77 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.498 -0.556 . . . . 25.0 109.498 178.103 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 26.9 m -131.8 11.04 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 CA-C-O 121.639 0.733 . . . . 25.0 111.913 -176.384 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.66 -29.68 62.55 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 117.41 2.374 . . . . 25.0 117.41 -172.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -76.92 -10.94 59.71 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 113.786 1.032 . . . . 25.0 113.786 -178.216 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 21.8 mt -85.45 -43.71 13.37 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 106.134 -1.802 . . . . 25.0 106.134 179.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 81.19 144.17 4.05 Favored Glycine 0 C--O 1.221 -0.68 0 CA-C-N 114.272 -1.331 . . . . 25.0 112.356 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -149.52 138.15 20.92 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 106.978 -1.49 . . . . 25.0 106.978 178.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 8.4 tp -86.87 -11.61 11.0 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 CA-C-O 121.413 0.625 . . . . 25.0 110.783 -176.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -159.3 167.98 35.14 Favored Glycine 0 C--O 1.225 -0.465 0 N-CA-C 111.104 -0.798 . . . . 25.0 111.104 177.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 83.6 mt -122.62 3.37 9.58 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 114.098 1.148 . . . . 25.0 114.098 -174.552 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -146.06 58.32 0.5 Allowed Glycine 0 CA--C 1.519 0.324 0 N-CA-C 117.152 1.621 . . . . 25.0 117.152 -173.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -156.86 -47.96 0.07 Allowed 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 117.609 0.705 . . . . 25.0 112.135 175.127 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 100.66 1.0 55.33 Favored Glycine 0 C--O 1.236 0.25 0 N-CA-C 116.279 1.271 . . . . 25.0 116.279 171.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -133.08 158.82 41.82 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.676 0.238 . . . . 25.0 110.384 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 53.73 43.53 30.92 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 113.236 0.828 . . . . 25.0 113.236 176.212 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 87.03 3.47 82.78 Favored Glycine 0 C--O 1.236 0.221 0 C-N-CA 120.973 -0.632 . . . . 25.0 114.101 173.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 72.1 p -100.28 141.45 33.11 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 106.96 -1.496 . . . . 25.0 106.96 176.354 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 13.5 mt -82.58 160.65 22.49 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 121.841 -0.537 . . . . 25.0 111.906 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -154.37 167.66 29.23 Favored 'General case' 0 C--O 1.242 0.678 0 N-CA-C 104.841 -2.281 . . . . 25.0 104.841 166.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 10.7 p -116.99 149.44 19.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 107.416 -1.328 . . . . 25.0 107.416 177.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 24.8 m -140.94 161.98 36.56 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 107.326 -1.361 . . . . 25.0 107.326 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 77.6 mt -130.42 160.65 33.4 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.152 -1.055 . . . . 25.0 108.152 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 29.6 p -78.74 167.46 21.17 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 106.857 -1.534 . . . . 25.0 106.857 171.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.18 -14.2 60.03 Favored 'General case' 0 C--O 1.218 -0.568 0 N-CA-C 113.709 1.003 . . . . 25.0 113.709 -177.186 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 18.5 p30 -112.91 2.29 15.8 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.282 -0.636 . . . . 25.0 109.282 -177.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 70.58 2.59 44.35 Favored Glycine 0 C--O 1.227 -0.282 0 N-CA-C 114.377 0.511 . . . . 25.0 114.377 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 91.9 mt -81.15 -9.64 59.77 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 113.361 0.875 . . . . 25.0 113.361 -174.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -136.17 151.28 49.57 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.064 -1.087 . . . . 25.0 108.064 177.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 26.1 m -133.67 146.66 51.07 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 106.758 -1.571 . . . . 25.0 106.758 -176.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -133.81 148.67 51.36 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.508 -0.552 . . . . 25.0 109.508 -177.299 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 8.1 mp -120.75 120.31 35.28 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 103.794 -2.669 . . . . 25.0 103.794 174.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -128.86 154.6 46.32 Favored 'General case' 0 CA--C 1.507 -0.704 0 O-C-N 123.115 0.259 . . . . 25.0 111.117 -174.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 90.6 p -140.47 -19.46 0.86 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 116.159 1.911 . . . . 25.0 116.159 -177.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 16.4 t80 42.45 45.84 3.93 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-O 121.477 0.656 . . . . 25.0 111.868 -172.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -65.68 141.98 58.18 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-O 121.308 0.575 . . . . 25.0 110.881 -178.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -153.13 36.62 0.48 Allowed 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 114.725 -1.125 . . . . 25.0 108.511 178.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -50.12 -40.0 44.79 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 112.903 0.705 . . . . 25.0 112.903 -176.04 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -155.1 -39.1 0.09 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.525 0.565 . . . . 25.0 112.525 176.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -97.07 -4.93 38.63 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 114.335 1.235 . . . . 25.0 114.335 -174.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 64.93 37.49 94.35 Favored Glycine 0 N--CA 1.461 0.327 0 C-N-CA 120.543 -0.837 . . . . 25.0 112.288 -178.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 24.9 mmt85 -117.67 109.65 16.91 Favored 'General case' 0 C--O 1.215 -0.713 0 N-CA-C 109.083 -0.71 . . . . 25.0 109.083 -179.168 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 15.4 m -78.38 132.9 37.55 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.391 -0.368 . . . . 25.0 111.504 -176.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -99.31 106.08 18.15 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.85 -0.796 . . . . 25.0 108.85 177.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -133.09 154.55 50.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.166 -0.47 . . . . 25.0 110.156 -172.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.5 mp -134.7 168.01 19.79 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 109.243 -0.651 . . . . 25.0 109.243 -179.02 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -144.04 157.51 44.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.972 0.415 . . . . 25.0 110.609 176.254 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 41.1 mt -131.97 122.01 24.86 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 105.442 -2.058 . . . . 25.0 105.442 176.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -113.22 131.36 55.93 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 108.397 -0.964 . . . . 25.0 108.397 -178.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 83.25 8.2 85.65 Favored Glycine 0 C--O 1.221 -0.712 0 N-CA-C 110.739 -0.944 . . . . 25.0 110.739 -177.088 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -57.35 137.92 55.5 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.369 0.877 . . . . 25.0 113.369 -174.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 80.5 m80 -76.91 68.19 3.05 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.9 0.857 . . . . 25.0 109.829 171.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -62.76 -27.41 69.27 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.111 -0.95 . . . . 25.0 109.927 179.398 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.22 -26.56 67.82 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.825 -0.625 . . . . 25.0 111.855 177.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 46.4 p -124.25 21.09 8.85 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 112.782 0.66 . . . . 25.0 112.782 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.8 pp -64.2 149.36 48.05 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 122.064 -0.397 . . . . 25.0 110.998 -177.168 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 75.1 m -141.32 150.18 42.16 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.087 0.47 . . . . 25.0 110.111 178.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.91 -8.94 48.87 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 113.151 0.797 . . . . 25.0 113.151 -177.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -67.5 -22.74 73.38 Favored Glycine 0 CA--C 1.52 0.355 0 C-N-CA 121.027 -0.606 . . . . 25.0 112.895 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -66.26 -27.84 68.26 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 114.853 1.427 . . . . 25.0 114.853 -176.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 43.3 pt -92.0 154.33 3.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 O-C-N 121.838 -0.539 . . . . 25.0 111.092 -176.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 11.0 p -57.92 -31.74 41.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 N-CA-C 113.015 0.746 . . . . 25.0 113.015 -176.214 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -71.57 -36.34 70.87 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 122.132 -0.355 . . . . 25.0 111.441 -177.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . 49.67 -157.12 0.09 Allowed 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.835 0.854 . . . . 25.0 112.246 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . 52.77 10.69 0.16 Allowed 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 118.678 2.844 . . . . 25.0 118.678 172.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -76.03 92.29 3.16 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 118.75 0.705 . . . . 25.0 110.706 -179.339 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 9.4 t -72.65 147.29 89.26 Favored Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 109.051 -0.722 . . . . 25.0 109.051 177.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -68.87 152.8 73.62 Favored 'Trans proline' 0 C--O 1.24 0.605 0 C-N-CA 115.219 -2.721 . . . . 25.0 110.711 174.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.41 0 N-CA-C 105.451 -3.06 . . . . 25.0 105.451 -179.942 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 206' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.513 0 CA-C-O 118.271 -0.871 . . . . 25.0 109.58 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 50.02 -172.26 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.934 0 O-C-N 124.862 1.351 . . . . 25.0 113.23 -173.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -96.23 171.21 28.0 Favored Glycine 0 N--CA 1.452 -0.279 0 CA-C-O 121.904 0.724 . . . . 25.0 114.272 -175.156 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.5 t -140.6 -163.43 1.53 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 105.208 -2.145 . . . . 25.0 105.208 178.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -69.16 155.46 40.35 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 119.191 0.905 . . . . 25.0 109.182 176.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 92.04 -177.91 40.16 Favored Glycine 0 C--O 1.235 0.17 0 N-CA-C 109.487 -1.445 . . . . 25.0 109.487 -173.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -93.64 127.63 39.41 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 117.75 0.775 . . . . 25.0 109.812 -175.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -119.64 153.25 35.8 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 120.695 0.283 . . . . 50.0 110.722 -178.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 65.6 t -123.65 111.21 28.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 104.941 -2.244 . . . . 25.0 104.941 171.117 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 49.7 mt -115.7 135.0 54.48 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.741 -0.837 . . . . 25.0 108.741 -173.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 46.4 mm -125.29 136.95 59.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 105.498 -2.038 . . . . 25.0 105.498 -176.304 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -90.18 178.65 43.44 Favored Glycine 0 N--CA 1.452 -0.241 0 CA-C-O 121.708 0.616 . . . . 25.0 113.417 -177.496 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 98.2 p -126.31 178.16 6.0 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.034 -0.728 . . . . 25.0 109.034 179.434 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -59.79 -41.34 90.95 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 114.474 1.287 . . . . 25.0 114.474 -176.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.4 m -71.04 164.88 3.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.874 0.368 . . . . 25.0 111.615 -177.318 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -69.67 139.27 31.38 Favored Glycine 0 CA--C 1.517 0.211 0 N-CA-C 110.926 -0.87 . . . . 25.0 110.926 177.083 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -139.67 164.35 30.16 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.282 0.563 . . . . 50.0 112.007 -173.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -129.79 113.99 15.38 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 105.511 -2.033 . . . . 25.0 105.511 175.625 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 55.8 mt -132.78 124.85 51.54 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 CA-C-O 120.763 0.316 . . . . 25.0 110.933 -172.025 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 91.0 p -113.71 146.74 39.37 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.633 -0.506 . . . . 25.0 109.633 174.23 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -91.95 -22.48 30.36 Favored Glycine 0 C--O 1.238 0.398 0 C-N-CA 120.869 -0.681 . . . . 25.0 114.277 -178.238 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.9 -159.38 53.57 Favored Glycine 0 C--O 1.245 0.797 0 C-N-CA 120.91 -0.662 . . . . 25.0 112.095 -177.164 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.88 172.09 10.55 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 109.073 -0.714 . . . . 25.0 109.073 178.427 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.76 171.81 48.53 Favored Glycine 0 C--O 1.242 0.619 0 CA-C-N 116.283 -0.417 . . . . 25.0 112.174 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -90.55 112.82 24.65 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 107.128 -1.434 . . . . 25.0 107.128 -178.257 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -118.67 157.58 27.16 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 113.96 1.096 . . . . 50.0 113.96 -172.059 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.7 mtp180 -112.94 133.91 54.69 Favored 'General case' 0 CA--C 1.505 -0.753 0 N-CA-C 105.184 -2.154 . . . . 25.0 105.184 168.026 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.4 mp -129.71 148.73 51.62 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 107.11 -1.441 . . . . 25.0 107.11 178.025 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -146.11 144.6 30.1 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 105.651 -1.981 . . . . 25.0 105.651 175.186 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -105.46 -21.29 8.88 Favored Glycine 0 N--CA 1.451 -0.321 0 O-C-N 123.516 0.51 . . . . 25.0 112.053 -178.313 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 66.37 -153.86 52.02 Favored Glycine 0 C--O 1.242 0.635 0 N-CA-C 111.021 -0.832 . . . . 25.0 111.021 -175.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.32 175.72 7.38 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 122.221 -0.576 . . . . 25.0 109.964 178.218 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 76.85 166.77 25.54 Favored Glycine 0 C--O 1.238 0.378 0 N-CA-C 111.447 -0.661 . . . . 25.0 111.447 -177.589 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -83.27 135.48 34.74 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 106.886 -1.524 . . . . 25.0 106.886 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -135.96 153.41 51.41 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 113.331 0.863 . . . . 50.0 113.331 -173.103 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.0 mp -111.27 125.81 54.22 Favored 'General case' 0 C--O 1.239 0.548 0 N-CA-C 106.651 -1.611 . . . . 25.0 106.651 176.137 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.6 mp -130.37 124.68 32.76 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 112.333 0.494 . . . . 25.0 112.333 -176.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -116.32 128.78 55.85 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-O 121.144 0.497 . . . . 25.0 110.404 178.465 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -80.4 -43.64 9.28 Favored Glycine 0 C--O 1.248 0.999 0 N-CA-C 115.998 1.159 . . . . 25.0 115.998 -175.546 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.03 -174.7 54.38 Favored Glycine 0 C--O 1.247 0.944 0 N-CA-C 111.403 -0.679 . . . . 25.0 111.403 -177.347 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.48 162.6 10.01 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 122.406 -0.467 . . . . 25.0 110.399 177.426 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.19 174.88 46.48 Favored Glycine 0 N--CA 1.461 0.323 0 N-CA-C 110.364 -1.094 . . . . 25.0 110.364 -177.272 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.7 ptp85 -100.83 124.29 46.27 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 106.935 -1.505 . . . . 25.0 106.935 179.427 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -123.56 158.62 30.99 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.14 -0.482 . . . . 50.0 112.206 -168.1 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -124.63 112.62 17.0 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 106.841 -1.54 . . . . 25.0 106.841 175.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.7 mp -110.98 137.54 48.49 Favored 'General case' 0 C--O 1.209 -1.034 0 N-CA-C 108.638 -0.875 . . . . 25.0 108.638 -175.44 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.2 m -124.18 125.44 44.45 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 107.502 -1.295 . . . . 25.0 107.502 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -84.94 -40.56 8.03 Favored Glycine 0 C--O 1.239 0.407 0 C-N-CA 119.608 -1.282 . . . . 25.0 113.561 -176.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.0 -165.17 54.8 Favored Glycine 0 C--O 1.243 0.659 0 N-CA-C 110.45 -1.06 . . . . 25.0 110.45 -176.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 89.5 mt -63.35 157.52 22.83 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 122.472 -0.428 . . . . 25.0 110.523 178.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 90.51 170.99 43.76 Favored Glycine 0 C--O 1.248 0.993 0 CA-C-N 115.548 -0.751 . . . . 25.0 111.543 -178.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.89 124.6 32.55 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 107.008 -1.478 . . . . 25.0 107.008 178.035 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -121.33 139.78 52.97 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.509 -0.552 . . . . 50.0 109.509 -175.453 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.2 t -116.17 130.13 56.65 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.303 -0.999 . . . . 25.0 108.303 178.198 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -110.8 128.15 55.65 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 106.144 -1.798 . . . . 25.0 106.144 -177.265 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 56.5 ttt-85 -127.75 146.16 50.67 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.442 0.639 . . . . 25.0 112.142 -171.224 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -71.87 148.59 45.99 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.662 -0.866 . . . . 25.0 108.662 170.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -98.79 -38.21 9.15 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 106.003 -1.851 . . . . 25.0 106.003 168.377 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 52.7 tp -140.76 158.67 43.63 Favored 'General case' 0 C--O 1.221 -0.43 0 N-CA-C 105.632 -1.988 . . . . 25.0 105.632 175.503 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 40.8 ptt180 -60.7 -23.76 65.13 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 121.456 0.646 . . . . 25.0 111.968 178.377 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -80.6 2.11 26.99 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 122.118 -0.364 . . . . 25.0 111.653 -177.091 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -60.19 -31.67 70.36 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 111.888 0.329 . . . . 25.0 111.888 178.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 57.2 p -139.73 91.16 2.45 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.385 0.612 . . . . 25.0 112.042 -177.018 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 36.6 p-80 -148.12 163.71 36.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 122.14 -0.35 . . . . 25.0 110.785 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 10.9 mtm180 -133.55 160.3 37.87 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.081 -0.711 . . . . 25.0 109.081 177.035 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 96.4 p -152.15 166.5 15.16 Favored Pre-proline 0 C--N 1.32 -0.695 0 N-CA-C 106.469 -1.678 . . . . 25.0 106.469 -177.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -70.31 -9.67 26.42 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 115.901 -2.266 . . . . 25.0 112.726 175.342 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 68.3 mt -86.12 -5.83 59.13 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 122.65 0.38 . . . . 25.0 110.812 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 142.77 169.61 12.4 Favored Glycine 0 C--O 1.236 0.278 0 CA-C-O 121.859 0.7 . . . . 25.0 113.021 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.5 t -100.22 143.64 30.17 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.742 -0.466 . . . . 25.0 109.742 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -134.8 19.11 3.52 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 105.775 -1.935 . . . . 25.0 105.775 175.484 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 41.8 t -75.4 157.2 34.53 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.634 -1.166 . . . . 25.0 108.82 -179.121 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -109.07 151.35 26.5 Favored 'General case' 0 CA--C 1.503 -0.858 0 CA-C-O 121.372 0.606 . . . . 50.0 110.377 -179.08 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.5 mp -118.7 135.26 54.58 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 105.842 -1.91 . . . . 25.0 105.842 -179.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 41.2 mt -107.98 137.11 41.03 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.726 0 N-CA-C 103.702 -2.703 . . . . 25.0 103.702 172.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 60.5 mt -108.26 144.08 36.23 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 115.151 -0.932 . . . . 25.0 109.122 -173.556 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 54.98 47.06 23.0 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 124.478 1.111 . . . . 25.0 109.529 176.379 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -70.79 130.0 40.55 Favored 'General case' 0 C--O 1.241 0.652 0 CA-C-N 114.792 -1.095 . . . . 25.0 113.472 -174.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -97.3 99.61 6.5 Favored Pre-proline 0 N--CA 1.469 0.497 0 CA-C-N 115.647 -0.706 . . . . 25.0 110.384 176.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -69.84 -11.24 30.33 Favored 'Trans proline' 0 CA--C 1.534 0.51 0 C-N-CA 116.463 -1.892 . . . . 25.0 113.505 178.222 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.5 t -84.64 -9.08 58.6 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 116.335 -0.393 . . . . 25.0 111.808 178.036 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -139.66 -34.27 0.57 Allowed 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 115.208 1.559 . . . . 25.0 115.208 -172.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -95.3 150.95 19.69 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.681 0.623 . . . . 50.0 112.681 -168.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 42.3 tptt -133.68 150.7 51.54 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.947 -0.57 . . . . 25.0 110.494 -174.555 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 15.0 mt -126.98 121.73 58.71 Favored 'Isoleucine or valine' 0 C--O 1.242 0.663 0 CA-C-O 121.314 0.578 . . . . 25.0 111.599 -179.223 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.45 119.52 25.23 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.278 -1.378 . . . . 25.0 107.278 176.011 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 31.0 m -132.67 17.71 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 CA-C-O 121.451 0.644 . . . . 25.0 111.876 -176.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.9 t -57.23 -36.97 71.56 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 114.194 1.183 . . . . 25.0 114.194 -174.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.51 -17.36 64.15 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 115.24 1.57 . . . . 25.0 115.24 -176.047 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 30.1 mt -71.17 -45.6 63.14 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 106.706 -1.59 . . . . 25.0 106.706 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 81.72 143.01 3.96 Favored Glycine 0 C--O 1.225 -0.459 0 CA-C-N 113.484 -1.689 . . . . 25.0 112.262 179.08 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -142.85 140.69 31.37 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.17 -1.048 . . . . 25.0 108.17 179.169 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 13.6 tt -92.76 -9.99 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.394 0.616 . . . . 25.0 110.876 -176.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -153.38 169.47 32.17 Favored Glycine 0 C--O 1.226 -0.383 0 C-N-CA 121.01 -0.614 . . . . 25.0 112.211 -178.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 83.1 mt -68.92 -18.53 64.12 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 114.946 1.462 . . . . 25.0 114.946 -173.462 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 141.0 98.58 0.35 Allowed Glycine 0 C--O 1.224 -0.508 0 N-CA-C 115.606 1.003 . . . . 25.0 115.606 -179.109 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -131.39 -4.77 3.79 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 110.086 -0.339 . . . . 25.0 110.086 175.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 79.24 3.58 88.53 Favored Glycine 0 C--O 1.236 0.229 0 N-CA-C 116.439 1.336 . . . . 25.0 116.439 179.026 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.421 ' HA ' ' HB3' ' A' ' 119' ' ' TYR . 58.5 m-85 -137.91 150.48 47.12 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 117.257 0.528 . . . . 25.0 111.341 -177.655 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 53.34 44.95 29.4 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 114.176 1.176 . . . . 25.0 114.176 173.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.06 32.09 21.53 Favored Glycine 0 N--CA 1.454 -0.121 0 C-N-CA 120.418 -0.896 . . . . 25.0 113.461 176.197 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 59.7 p -135.49 146.56 48.27 Favored 'General case' 0 C--O 1.218 -0.565 0 N-CA-C 105.787 -1.931 . . . . 25.0 105.787 177.095 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 61.7 mt -86.34 153.76 21.71 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 116.528 2.047 . . . . 25.0 116.528 -172.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -136.06 159.6 41.2 Favored 'General case' 0 C--O 1.241 0.642 0 N-CA-C 104.164 -2.532 . . . . 25.0 104.164 167.38 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 11.2 p -124.23 153.28 30.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 107.883 -1.154 . . . . 25.0 107.883 -178.55 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 44.7 m -144.53 157.02 44.42 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 107.539 -1.282 . . . . 25.0 107.539 176.601 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 57.5 mt -130.25 162.13 29.64 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.437 -0.579 . . . . 25.0 109.437 -178.371 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 87.8 p -79.5 172.02 14.36 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 106.788 -1.56 . . . . 25.0 106.788 170.466 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -54.67 -34.51 62.37 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 114.582 1.327 . . . . 25.0 114.582 -176.673 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -104.25 7.63 35.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.274 0.559 . . . . 25.0 110.753 -176.115 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 71.33 5.81 60.22 Favored Glycine 0 C--O 1.225 -0.462 0 CA-C-N 116.222 -0.444 . . . . 25.0 113.835 -177.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 96.4 mt -76.56 -9.13 58.44 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 113.883 1.068 . . . . 25.0 113.883 -175.202 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 89.9 mtt-85 -139.49 148.64 42.95 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 106.245 -1.761 . . . . 25.0 106.245 178.176 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 15.2 m -133.95 148.45 51.17 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.224 -0.658 . . . . 25.0 109.224 -176.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -135.32 147.65 49.22 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.526 -0.546 . . . . 25.0 109.526 -178.4 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 68.0 mt -128.29 137.08 51.81 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.307 -0.627 . . . . 25.0 109.307 179.101 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.4 tmtp? -135.41 127.72 30.21 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-O 119.082 -0.485 . . . . 25.0 110.463 -177.326 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 20.4 t -100.56 -28.81 12.68 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 112.912 0.708 . . . . 25.0 112.912 178.187 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.421 ' HB3' ' HA ' ' A' ' 99' ' ' TYR . 30.6 t80 51.09 52.39 15.05 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-O 122.256 1.027 . . . . 25.0 111.116 -179.476 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -67.44 150.84 48.37 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.503 -1.226 . . . . 25.0 108.353 178.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -134.97 14.13 3.6 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.838 0.827 . . . . 25.0 111.191 -176.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -66.95 -32.34 73.52 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 114.263 -1.335 . . . . 25.0 111.691 -175.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -142.23 99.96 3.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.761 -0.654 . . . . 25.0 110.693 -179.1 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 52.0 28.65 5.44 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 114.247 1.202 . . . . 25.0 114.247 175.375 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 63.89 22.83 66.92 Favored Glycine 0 CA--C 1.521 0.418 0 N-CA-C 114.771 0.669 . . . . 25.0 114.771 178.395 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 26.0 mmt85 -78.74 145.12 34.63 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 104.234 -2.506 . . . . 25.0 104.234 176.057 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 35.7 t -134.72 146.86 49.84 Favored 'General case' 0 CA--C 1.513 -0.459 0 N-CA-C 115.007 1.484 . . . . 25.0 115.007 -174.641 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -82.36 126.53 32.28 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 107.287 -1.375 . . . . 25.0 107.287 173.048 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -145.35 147.97 32.87 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 107.819 -1.178 . . . . 25.0 107.819 -174.398 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 6.9 mt -136.2 163.06 31.25 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 122.691 0.396 . . . . 25.0 110.085 -176.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -144.82 152.71 40.72 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 109.562 -0.533 . . . . 25.0 109.562 177.187 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 78.1 mt -132.81 144.64 50.37 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 106.592 -1.632 . . . . 25.0 106.592 177.218 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -129.06 155.54 45.26 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 107.407 -1.331 . . . . 25.0 107.407 177.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 72.21 28.64 67.78 Favored Glycine 0 CA--C 1.509 -0.337 0 N-CA-C 111.456 -0.658 . . . . 25.0 111.456 176.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 29.1 m120 -69.59 142.85 53.46 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.499 0.666 . . . . 25.0 111.593 -177.318 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 65.2 m80 -75.64 92.08 2.92 Favored 'General case' 0 C--O 1.214 -0.771 0 N-CA-C 107.135 -1.432 . . . . 25.0 107.135 170.602 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -60.86 -31.27 70.73 Favored 'General case' 0 C--O 1.22 -0.496 0 N-CA-C 109.212 -0.662 . . . . 25.0 109.212 177.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.91 -28.82 69.79 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.216 -0.902 . . . . 25.0 111.875 178.119 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 64.1 p -130.51 30.28 4.72 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 113.138 0.792 . . . . 25.0 113.138 -178.694 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.0 pp -62.68 147.74 48.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.377 0.608 . . . . 25.0 111.42 -175.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 43.9 t -155.47 154.08 31.29 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.399 -0.963 . . . . 25.0 108.399 -177.253 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -94.1 -7.27 42.98 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-O 121.118 0.485 . . . . 25.0 111.164 178.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -80.05 14.51 20.4 Favored Glycine 0 CA--C 1.522 0.481 0 N-CA-C 115.89 1.116 . . . . 25.0 115.89 -174.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 57.0 m-20 -68.07 -25.48 65.37 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 113.219 0.822 . . . . 25.0 113.219 -176.385 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 48.5 pt -83.04 158.26 3.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 121.968 -0.457 . . . . 25.0 111.281 -177.01 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 10.4 p -58.7 -33.23 48.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 113.732 1.012 . . . . 25.0 113.732 -177.336 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -70.95 -34.47 71.48 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 122.044 -0.41 . . . . 25.0 111.472 -179.293 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . 50.26 -159.42 0.08 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.763 0.825 . . . . 25.0 111.787 -177.414 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . 56.79 1.02 0.08 Allowed 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 117.477 2.399 . . . . 25.0 117.477 176.289 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -65.89 142.62 57.84 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.752 -0.462 . . . . 25.0 109.752 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 7.3 t -69.07 146.82 97.44 Favored Pre-proline 0 C--N 1.322 -0.627 0 N-CA-C 107.03 -1.47 . . . . 25.0 107.03 178.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -73.53 175.01 11.25 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 116.916 -1.589 . . . . 25.0 111.999 178.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.452 0 N-CA-C 105.814 -2.914 . . . . 25.0 105.814 177.62 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 206' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 118.358 -0.829 . . . . 25.0 109.397 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 22.1 pt20 47.35 -162.71 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.911 0 O-C-N 124.676 1.235 . . . . 25.0 111.535 -172.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -90.2 162.38 29.63 Favored Glycine 0 N--CA 1.449 -0.483 0 CA-C-O 121.939 0.744 . . . . 25.0 113.849 -174.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.1 t -136.52 -170.51 2.69 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 105.422 -2.066 . . . . 25.0 105.422 178.496 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -70.64 145.87 50.37 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 121.218 -0.926 . . . . 25.0 109.252 177.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 101.27 -176.35 26.62 Favored Glycine 0 C--N 1.323 -0.185 0 N-CA-C 109.615 -1.394 . . . . 25.0 109.615 -172.678 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 62.3 m-20 -90.8 131.08 36.67 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 118.318 1.059 . . . . 25.0 110.082 -175.489 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -124.53 154.02 41.22 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.173 0.511 . . . . 50.0 111.421 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 93.5 t -125.54 114.24 38.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 104.554 -2.387 . . . . 25.0 104.554 171.315 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 44.5 mt -122.26 138.43 54.5 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.756 -0.831 . . . . 25.0 108.756 -173.157 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 39.8 mm -128.14 130.86 69.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 107.668 -1.234 . . . . 25.0 107.668 -177.604 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -90.56 175.39 40.6 Favored Glycine 0 C--O 1.229 -0.171 0 CA-C-O 121.774 0.652 . . . . 25.0 113.099 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 91.0 p -122.62 -179.53 4.25 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 123.415 0.686 . . . . 25.0 109.793 -179.32 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -67.15 -27.09 67.01 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 115.421 1.638 . . . . 25.0 115.421 -176.212 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.7 m -76.06 165.97 2.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 C-N-CA 120.916 -0.314 . . . . 25.0 110.388 -179.204 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.1 137.55 28.31 Favored Glycine 0 C--O 1.234 0.122 0 N-CA-C 110.393 -1.083 . . . . 25.0 110.393 176.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -140.64 166.67 24.12 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.427 0.632 . . . . 50.0 111.999 -174.128 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -132.11 116.99 17.74 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 105.016 -2.216 . . . . 25.0 105.016 175.044 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.3 mt -135.56 116.57 19.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.132 0.491 . . . . 25.0 110.646 -173.285 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 98.6 p -107.4 147.46 30.36 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.661 -0.866 . . . . 25.0 108.661 175.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -94.75 -23.26 21.39 Favored Glycine 0 N--CA 1.458 0.148 0 C-N-CA 121.083 -0.58 . . . . 25.0 114.101 -178.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.94 -160.47 54.06 Favored Glycine 0 C--O 1.243 0.7 0 C-N-CA 120.891 -0.671 . . . . 25.0 111.601 -177.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.86 173.93 8.48 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 121.921 -0.752 . . . . 25.0 109.449 178.053 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.74 170.95 47.17 Favored Glycine 0 C--O 1.241 0.565 0 CA-C-N 116.582 -0.281 . . . . 25.0 113.512 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -84.55 113.09 20.99 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.54 -0.911 . . . . 25.0 108.54 -178.655 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -118.41 160.68 21.27 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 113.88 1.067 . . . . 50.0 113.88 -174.264 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -123.41 127.45 48.45 Favored 'General case' 0 CA--C 1.51 -0.594 0 N-CA-C 104.105 -2.554 . . . . 25.0 104.105 170.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.3 mp -127.93 146.44 50.64 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 106.795 -1.557 . . . . 25.0 106.795 -178.515 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -140.99 141.06 34.43 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 105.043 -2.206 . . . . 25.0 105.043 175.322 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -103.36 -23.28 8.53 Favored Glycine 0 N--CA 1.447 -0.591 0 N-CA-C 111.899 -0.48 . . . . 25.0 111.899 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 65.84 -158.14 47.64 Favored Glycine 0 C--O 1.24 0.522 0 C-N-CA 120.652 -0.785 . . . . 25.0 111.517 -175.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.69 173.51 8.92 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.968 -0.725 . . . . 25.0 110.049 178.523 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.92 166.64 36.05 Favored Glycine 0 C--O 1.237 0.34 0 CA-C-N 115.892 -0.595 . . . . 25.0 112.045 -178.044 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -81.79 130.15 34.97 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 107.062 -1.459 . . . . 25.0 107.062 -178.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -134.19 152.44 51.83 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 113.794 1.035 . . . . 50.0 113.794 -173.458 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.8 mp -112.63 118.3 34.67 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.183 -1.414 . . . . 25.0 107.183 176.321 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.6 mp -125.21 124.87 42.66 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 112.52 0.563 . . . . 25.0 112.52 -175.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -116.7 124.82 50.62 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-O 121.095 0.474 . . . . 25.0 110.906 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -78.73 -44.03 10.96 Favored Glycine 0 C--O 1.243 0.698 0 N-CA-C 115.255 0.862 . . . . 25.0 115.255 -177.128 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.63 -171.01 47.87 Favored Glycine 0 C--O 1.245 0.805 0 C-N-CA 121.171 -0.537 . . . . 25.0 112.793 -178.378 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.86 158.51 21.84 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 122.542 -0.387 . . . . 25.0 111.193 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.29 171.86 45.59 Favored Glycine 0 N--CA 1.464 0.514 0 N-CA-C 109.754 -1.338 . . . . 25.0 109.754 -175.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.9 ptp85 -95.67 130.09 42.67 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 107.521 -1.288 . . . . 25.0 107.521 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -130.35 164.22 25.16 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 112.509 0.559 . . . . 50.0 112.509 -168.195 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.8 mpt_? -131.78 126.07 33.49 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 105.262 -2.125 . . . . 25.0 105.262 178.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.6 mp -127.36 102.18 6.79 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 123.463 0.477 . . . . 25.0 111.568 -172.03 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 31.7 m -87.99 117.9 27.17 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.813 -0.439 . . . . 25.0 109.813 179.446 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -84.98 -43.13 6.84 Favored Glycine 0 C--O 1.241 0.553 0 C-N-CA 120.123 -1.037 . . . . 25.0 112.083 -178.611 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 69.17 -162.05 51.84 Favored Glycine 0 C--O 1.24 0.514 0 C-N-CA 121.098 -0.572 . . . . 25.0 111.832 -178.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 95.5 mt -64.58 156.85 28.6 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 122.229 -0.571 . . . . 25.0 110.95 179.191 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.17 164.62 32.31 Favored Glycine 0 C--O 1.243 0.703 0 CA-C-N 115.251 -0.886 . . . . 25.0 111.127 -178.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.89 110.57 19.51 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 106.409 -1.7 . . . . 25.0 106.409 178.399 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -110.39 148.63 31.62 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.182 -0.463 . . . . 50.0 109.89 -173.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.8 t -124.54 139.53 53.79 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 121.757 0.789 . . . . 25.0 108.934 175.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -121.58 128.02 51.53 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 106.445 -1.687 . . . . 25.0 106.445 -177.355 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 56.8 ttt85 -126.02 145.59 50.24 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.949 0.881 . . . . 25.0 112.64 -171.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -73.65 150.92 41.0 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 114.747 -1.115 . . . . 25.0 109.29 175.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -110.85 -40.01 4.66 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 106.42 -1.696 . . . . 25.0 106.42 168.358 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 41.4 tp -142.72 153.88 43.76 Favored 'General case' 0 C--O 1.221 -0.405 0 N-CA-C 108.324 -0.991 . . . . 25.0 108.324 178.094 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 38.2 ptt180 -61.01 -24.96 66.56 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 121.649 0.738 . . . . 25.0 112.783 178.153 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -83.71 1.74 41.16 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.215 0.531 . . . . 25.0 111.355 -175.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -67.47 -23.2 65.47 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 122.085 -0.384 . . . . 25.0 110.753 178.005 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.3 m -125.32 42.54 3.26 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 113.473 0.916 . . . . 25.0 113.473 -174.362 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 59.0 t60 -100.44 142.29 32.12 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 113.32 0.859 . . . . 25.0 113.32 -176.348 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 30.1 mtm180 -135.86 155.09 50.84 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 108.105 -1.072 . . . . 25.0 108.105 173.241 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 82.0 p -146.92 168.41 11.47 Favored Pre-proline 0 C--N 1.325 -0.476 0 N-CA-C 105.758 -1.941 . . . . 25.0 105.758 178.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_endo -69.82 -11.24 30.36 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 115.449 -2.567 . . . . 25.0 113.462 178.241 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 78.2 mt -85.52 -7.32 58.95 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.6 0.238 . . . . 25.0 111.043 179.145 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 153.53 167.21 15.56 Favored Glycine 0 C--O 1.229 -0.176 0 C-N-CA 120.792 -0.718 . . . . 25.0 113.669 178.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.2 t -103.91 144.52 31.41 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.349 -0.611 . . . . 25.0 109.349 178.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -134.08 11.63 3.91 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 106.712 -1.588 . . . . 25.0 106.712 177.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.6 t -92.09 177.36 6.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.736 -1.12 . . . . 25.0 111.104 -175.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -116.17 158.26 23.55 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.818 -0.628 . . . . 50.0 112.683 -171.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.9 mp -119.79 135.21 54.95 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 106.794 -1.558 . . . . 25.0 106.794 173.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 53.8 mt -105.41 141.88 19.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 N-CA-C 104.205 -2.517 . . . . 25.0 104.205 174.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -117.89 142.11 47.69 Favored 'General case' 0 C--N 1.314 -0.947 0 N-CA-C 108.326 -0.99 . . . . 25.0 108.326 -175.324 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 56.24 46.45 21.23 Favored 'General case' 0 C--O 1.248 0.98 0 CA-C-O 121.921 0.867 . . . . 25.0 110.368 177.464 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -83.03 128.86 34.86 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.884 -1.053 . . . . 25.0 109.594 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -99.59 103.48 21.58 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-N 115.701 -0.681 . . . . 25.0 109.807 179.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -69.95 7.01 1.15 Allowed 'Trans proline' 0 CA--C 1.541 0.838 0 N-CA-C 115.512 1.312 . . . . 25.0 115.512 179.13 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 10.7 t -110.36 -6.2 15.04 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 115.983 -0.553 . . . . 25.0 111.172 177.119 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -141.7 -34.86 0.46 Allowed 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 114.079 1.14 . . . . 25.0 114.079 -174.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -88.6 158.73 18.17 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.01 0.433 . . . . 50.0 111.047 -173.121 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 46.9 tptt -132.94 146.8 52.11 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 116.504 -0.316 . . . . 25.0 111.238 -178.036 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 19.3 mt -123.63 112.14 32.0 Favored 'Isoleucine or valine' 0 C--O 1.243 0.735 0 N-CA-C 109.116 -0.698 . . . . 25.0 109.116 175.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -79.62 121.02 24.76 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 106.841 -1.54 . . . . 25.0 106.841 176.145 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 17.0 m -130.37 26.6 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 CA-C-O 121.622 0.725 . . . . 25.0 111.552 -175.385 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.23 -29.58 68.84 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 114.316 1.228 . . . . 25.0 114.316 -175.419 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -74.19 -19.68 60.46 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 113.033 0.753 . . . . 25.0 113.033 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 14.4 mt -84.08 -28.76 27.34 Favored 'General case' 0 C--O 1.216 -0.698 0 N-CA-C 106.232 -1.766 . . . . 25.0 106.232 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 62.74 48.23 82.87 Favored Glycine 0 C--O 1.223 -0.587 0 CA-C-N 113.77 -1.559 . . . . 25.0 116.926 166.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -65.28 105.36 1.1 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 117.573 0.686 . . . . 25.0 109.742 177.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 16.2 tt -90.44 -18.73 7.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.09 -0.505 . . . . 25.0 111.238 -174.583 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.616 ' HA3' HG22 ' A' ' 102' ' ' THR . . . -114.35 148.05 18.8 Favored Glycine 0 CA--C 1.51 -0.278 0 C-N-CA 120.811 -0.709 . . . . 25.0 113.227 -179.495 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 64.7 mt -59.65 -33.51 71.62 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 114.431 1.271 . . . . 25.0 114.431 -174.058 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 172.57 159.27 18.76 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.495 -0.86 . . . . 25.0 113.423 178.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.5 t30 154.71 -43.1 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 127.697 2.399 . . . . 25.0 107.654 177.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 105.78 -1.75 38.92 Favored Glycine 0 N--CA 1.46 0.261 0 CA-C-N 116.229 -0.441 . . . . 25.0 114.145 175.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -139.71 159.44 42.17 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.316 -0.994 . . . . 25.0 108.316 178.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 58.13 48.73 12.47 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.807 0.843 . . . . 25.0 112.495 -178.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 74.2 27.0 66.99 Favored Glycine 0 C--N 1.329 0.192 0 C-N-CA 121.044 -0.598 . . . . 25.0 114.262 174.087 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.616 HG22 ' HA3' ' A' ' 94' ' ' GLY . 44.0 p -126.5 157.21 39.29 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.829 -1.175 . . . . 25.0 107.829 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.8 mt -97.59 161.52 13.73 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 114.887 1.44 . . . . 25.0 114.887 -174.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -147.45 150.87 35.44 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 104.515 -2.402 . . . . 25.0 104.515 171.249 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 7.1 p -135.18 154.84 36.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 110.162 -0.31 . . . . 25.0 110.162 -175.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 46.4 m -147.43 160.75 42.21 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.03 -1.1 . . . . 25.0 108.03 177.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 25.5 mt -132.8 159.06 40.86 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.486 -0.931 . . . . 25.0 108.486 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 99.0 p -80.01 170.45 16.45 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.222 -1.399 . . . . 25.0 107.222 172.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -55.86 -34.89 65.87 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 114.161 1.171 . . . . 25.0 114.161 -176.169 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -102.84 5.62 38.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.393 0.616 . . . . 25.0 110.475 -175.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 72.27 4.09 59.07 Favored Glycine 0 C--O 1.224 -0.493 0 CA-C-N 116.063 -0.517 . . . . 25.0 113.614 -177.21 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 97.1 mt -70.65 -15.08 62.7 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 113.273 0.842 . . . . 25.0 113.273 -175.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 41.2 mtt85 -137.86 148.61 45.56 Favored 'General case' 0 CA--C 1.51 -0.569 0 N-CA-C 108.834 -0.802 . . . . 25.0 108.834 177.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 7.2 m -126.49 147.58 49.81 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 106.707 -1.59 . . . . 25.0 106.707 178.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -134.37 145.26 48.8 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 107.639 -1.245 . . . . 25.0 107.639 179.422 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.8 mp -133.41 145.96 50.77 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.378 -0.601 . . . . 25.0 109.378 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -138.15 131.78 30.93 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.374 -0.375 . . . . 25.0 110.686 178.046 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 32.4 t -141.61 102.57 4.21 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 107.494 -1.299 . . . . 25.0 107.494 169.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -79.31 130.78 35.79 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 105.517 -2.031 . . . . 25.0 105.517 177.128 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -120.12 150.89 39.88 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.435 -0.95 . . . . 25.0 108.435 -177.018 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -132.79 13.27 4.39 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 113.374 0.879 . . . . 25.0 113.374 -177.492 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -104.27 -42.58 5.46 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 108.393 -0.966 . . . . 25.0 108.393 179.448 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -82.38 56.92 3.43 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.966 -1.016 . . . . 25.0 110.591 177.571 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? 60.43 28.61 18.27 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-O 121.524 0.678 . . . . 25.0 112.803 176.309 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 71.97 19.94 78.61 Favored Glycine 0 CA--C 1.522 0.481 0 C-N-CA 120.591 -0.814 . . . . 25.0 114.346 177.368 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -85.77 101.93 13.22 Favored 'General case' 0 C--O 1.217 -0.633 0 O-C-N 122.18 -0.6 . . . . 25.0 111.181 -176.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.8 p -62.17 132.32 52.4 Favored 'General case' 0 C--O 1.243 0.753 0 CA-C-N 116.267 -0.424 . . . . 25.0 110.916 176.175 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -103.69 107.89 18.94 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 107.18 -1.415 . . . . 25.0 107.18 177.509 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 -129.64 135.08 48.1 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 107.818 -1.178 . . . . 25.0 107.818 -175.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.4 mp -130.72 168.13 17.69 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 122.36 0.264 . . . . 25.0 110.635 -171.604 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -146.11 151.78 38.23 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.109 -1.071 . . . . 25.0 108.109 175.181 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.478 HD13 HD22 ' A' ' 135' ' ' ASN . 39.2 mt -136.67 142.65 43.19 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 107.205 -1.405 . . . . 25.0 107.205 -179.648 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -122.01 148.11 45.23 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.299 -1.0 . . . . 25.0 108.299 178.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 67.11 48.92 57.07 Favored Glycine 0 C--O 1.223 -0.568 0 C-N-CA 120.718 -0.753 . . . . 25.0 113.718 174.322 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' ASN . . . . . 0.478 HD22 HD13 ' A' ' 132' ' ' LEU . 4.5 m-20 -97.16 145.42 26.04 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 122.147 -0.619 . . . . 25.0 109.969 -179.475 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 72.8 m80 -76.95 91.39 3.59 Favored 'General case' 0 C--O 1.216 -0.661 0 N-CA-C 109.042 -0.725 . . . . 25.0 109.042 172.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -62.52 -27.16 68.97 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.856 -0.794 . . . . 25.0 108.856 175.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.34 -26.9 68.12 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.545 -0.752 . . . . 25.0 111.472 176.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 73.2 p -126.73 30.02 5.58 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 112.421 0.526 . . . . 25.0 112.421 179.281 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.1 pp -62.34 147.26 48.85 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.455 0.645 . . . . 25.0 111.22 -178.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 40.5 t -155.3 151.06 27.54 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.024 -0.732 . . . . 25.0 109.024 -179.438 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -79.65 -12.51 59.82 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 121.456 0.646 . . . . 25.0 111.085 176.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -71.54 1.45 28.45 Favored Glycine 0 CA--C 1.52 0.403 0 N-CA-C 116.89 1.516 . . . . 25.0 116.89 -173.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -70.32 -20.3 63.01 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 117.846 0.823 . . . . 25.0 112.659 -179.248 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 27.1 pt -76.88 152.22 5.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.134 0.492 . . . . 25.0 111.146 -177.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 7.5 p -64.62 -25.31 37.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 N-CA-C 112.72 0.637 . . . . 25.0 112.72 -177.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -74.22 -28.68 61.36 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 122.165 -0.334 . . . . 25.0 111.792 -175.042 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . 52.04 -156.79 0.14 Allowed 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.549 0.739 . . . . 25.0 112.447 178.471 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . 55.46 16.88 1.97 Allowed 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 116.193 1.923 . . . . 25.0 116.193 176.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -67.76 140.03 56.67 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.651 -0.5 . . . . 25.0 109.651 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 10.9 t -76.12 144.59 75.58 Favored Pre-proline 0 C--N 1.321 -0.656 0 N-CA-C 107.894 -1.15 . . . . 25.0 107.894 177.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -74.61 143.82 30.97 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 116.107 -2.129 . . . . 25.0 112.378 179.373 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 N-CA-C 107.651 -2.18 . . . . 25.0 107.651 179.792 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 206' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 118.355 -0.831 . . . . 25.0 109.568 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 64.44 161.98 0.12 Allowed 'General case' 0 N--CA 1.478 0.926 0 O-C-N 124.89 1.369 . . . . 25.0 112.164 -176.189 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -102.89 -178.12 26.73 Favored Glycine 0 N--CA 1.453 -0.193 0 CA-C-N 116.277 -0.419 . . . . 25.0 113.609 -176.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.478 HG23 ' H ' ' A' ' 6' ' ' GLY . 6.5 t -107.39 -173.62 2.33 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 106.487 -1.672 . . . . 25.0 106.487 177.303 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -84.7 4.3 33.28 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 120.946 -1.096 . . . . 25.0 112.447 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.478 ' H ' HG23 ' A' ' 4' ' ' THR . . . -86.82 -164.06 39.48 Favored Glycine 0 C--N 1.32 -0.34 0 N-CA-C 108.764 -1.735 . . . . 25.0 108.764 170.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 53.5 m-20 -87.37 136.64 32.86 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 118.431 1.116 . . . . 25.0 108.443 177.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -134.3 154.64 51.19 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 121.24 0.543 . . . . 50.0 112.018 -177.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 99.3 t -124.5 114.14 39.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 104.989 -2.226 . . . . 25.0 104.989 171.014 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 45.2 mt -121.52 131.0 53.9 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.144 -1.058 . . . . 25.0 108.144 -174.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 83.0 mt -132.62 127.08 55.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 107.528 -1.286 . . . . 25.0 107.528 -179.103 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -91.11 -173.52 43.67 Favored Glycine 0 N--CA 1.452 -0.267 0 CA-C-O 121.629 0.572 . . . . 25.0 113.135 -178.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 83.7 p -123.26 -168.31 1.75 Allowed 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 123.439 0.695 . . . . 25.0 109.491 -178.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -76.21 -16.39 59.85 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 114.877 1.436 . . . . 25.0 114.877 -174.297 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.2 m -81.03 166.62 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 109.083 -0.71 . . . . 25.0 109.083 178.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.99 134.41 18.51 Favored Glycine 0 N--CA 1.454 -0.125 0 N-CA-C 110.458 -1.057 . . . . 25.0 110.458 178.326 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -140.3 161.74 36.96 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 117.311 0.556 . . . . 50.0 112.226 -173.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -117.01 121.37 41.16 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 105.49 -2.041 . . . . 25.0 105.49 172.414 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 59.0 mt -126.65 118.69 51.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 108.082 -1.081 . . . . 25.0 108.082 -175.614 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.1 m -117.46 127.11 53.69 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.045 -0.525 . . . . 25.0 109.866 -178.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.1 -30.9 18.79 Favored Glycine 0 CA--C 1.517 0.174 0 C-N-CA 121.03 -0.605 . . . . 25.0 114.445 -176.3 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 74.38 -161.64 53.77 Favored Glycine 0 C--O 1.243 0.674 0 CA-C-N 117.504 0.652 . . . . 25.0 111.744 -178.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.68 178.22 3.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 121.837 -0.802 . . . . 25.0 109.064 177.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.52 171.63 41.9 Favored Glycine 0 C--O 1.243 0.674 0 C-N-CA 121.041 -0.6 . . . . 25.0 112.026 -178.21 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -86.79 124.07 32.63 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.079 -1.082 . . . . 25.0 108.079 -178.542 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -130.85 149.9 52.26 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.97 1.1 . . . . 50.0 113.97 -173.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 -108.22 127.64 54.02 Favored 'General case' 0 CA--C 1.506 -0.722 0 N-CA-C 104.875 -2.268 . . . . 25.0 104.875 163.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.7 mp -115.74 142.95 46.06 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 103.269 -2.863 . . . . 25.0 103.269 172.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.438 ' HA ' ' HB ' ' A' ' 47' ' ' THR . 13.9 t0 -142.55 132.5 24.35 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 104.878 -2.267 . . . . 25.0 104.878 176.329 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -101.94 -22.8 9.72 Favored Glycine 0 C--N 1.318 -0.452 0 N-CA-C 114.183 0.433 . . . . 25.0 114.183 -172.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 64.7 -157.57 45.08 Favored Glycine 0 C--O 1.245 0.831 0 C-N-CA 120.513 -0.851 . . . . 25.0 111.365 -175.02 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.06 175.24 7.63 Favored 'General case' 0 C--O 1.243 0.729 0 O-C-N 121.992 -0.711 . . . . 25.0 110.548 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.26 166.49 34.25 Favored Glycine 0 C--O 1.238 0.347 0 N-CA-C 110.621 -0.992 . . . . 25.0 110.621 -177.464 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -82.64 136.78 34.69 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 107.138 -1.43 . . . . 25.0 107.138 -179.463 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -138.06 153.88 49.31 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 113.649 0.981 . . . . 50.0 113.649 -172.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.4 mp -111.37 126.87 55.38 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 106.533 -1.654 . . . . 25.0 106.533 176.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.1 mp -129.36 109.97 11.53 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 112.788 0.662 . . . . 25.0 112.788 -175.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -95.35 116.48 28.84 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 109.84 -0.43 . . . . 25.0 109.84 178.112 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -70.35 -52.06 19.0 Favored Glycine 0 C--O 1.247 0.917 0 C-N-CA 120.396 -0.906 . . . . 25.0 113.965 -178.292 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.81 174.71 45.23 Favored Glycine 0 C--O 1.237 0.307 0 O-C-N 122.334 -0.51 . . . . 25.0 112.292 -178.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.43 156.22 8.21 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 122.034 -0.686 . . . . 25.0 110.305 179.223 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.27 168.82 40.41 Favored Glycine 0 C--O 1.242 0.644 0 N-CA-C 111.026 -0.83 . . . . 25.0 111.026 -176.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.9 ptp85 -88.4 129.6 35.38 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 107.309 -1.367 . . . . 25.0 107.309 -179.228 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -130.12 160.07 34.87 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 112.981 0.734 . . . . 50.0 112.981 -171.566 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? -122.39 112.4 18.04 Favored 'General case' 0 CA--C 1.512 -0.512 0 N-CA-C 106.249 -1.759 . . . . 25.0 106.249 176.304 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.1 mp -110.81 100.29 9.06 Favored 'General case' 0 C--N 1.321 -0.66 0 O-C-N 123.172 0.295 . . . . 25.0 110.212 -174.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.438 ' HB ' ' HA ' ' A' ' 29' ' ' ASP . 20.5 m -91.3 114.75 27.36 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.081 -0.711 . . . . 25.0 109.081 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -83.08 -40.97 8.86 Favored Glycine 0 C--O 1.237 0.331 0 C-N-CA 119.798 -1.191 . . . . 25.0 112.759 -177.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.47 ' H ' ' HB2' ' A' ' 77' ' ' ASP . . . 72.68 -163.62 54.78 Favored Glycine 0 C--O 1.242 0.642 0 N-CA-C 111.136 -0.786 . . . . 25.0 111.136 -177.427 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 89.2 mt -64.08 156.63 27.67 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 120.958 0.409 . . . . 25.0 110.527 177.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 92.5 168.28 39.87 Favored Glycine 0 C--O 1.247 0.915 0 CA-C-N 115.359 -0.837 . . . . 25.0 111.166 -179.086 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -82.95 123.18 29.18 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 106.854 -1.535 . . . . 25.0 106.854 178.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -120.65 141.41 50.39 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 109.556 -0.535 . . . . 50.0 109.556 -175.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.8 t -114.93 122.68 47.03 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 107.847 -1.168 . . . . 25.0 107.847 177.055 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -104.84 129.54 53.14 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 105.982 -1.858 . . . . 25.0 105.982 -177.392 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.6 ttt180 -131.81 148.06 52.53 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 114.405 1.261 . . . . 25.0 114.405 -169.047 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 41.9 p90 -78.07 160.78 27.88 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.043 -0.981 . . . . 25.0 108.697 172.215 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -128.45 -2.11 5.55 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 109.646 -0.502 . . . . 25.0 109.646 166.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 28.6 tp -154.97 163.36 40.42 Favored 'General case' 0 C--O 1.218 -0.59 0 N-CA-C 107.384 -1.339 . . . . 25.0 107.384 -179.143 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 40.5 ptt180 -75.46 -17.65 60.09 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 118.775 0.716 . . . . 25.0 111.505 175.683 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -100.09 13.76 32.99 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 121.859 0.838 . . . . 25.0 110.36 -177.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -57.88 -31.54 66.82 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.299 -0.864 . . . . 25.0 112.348 -178.118 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 29.1 p -138.77 85.08 2.05 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.993 -0.743 . . . . 25.0 108.993 -179.485 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -134.23 150.44 51.03 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 116.343 -0.39 . . . . 25.0 110.197 -172.185 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 77.8 mtt180 -133.11 143.67 49.44 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.585 0.707 . . . . 25.0 110.772 176.107 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 18.9 t -146.2 156.63 50.32 Favored Pre-proline 0 C--N 1.323 -0.585 0 N-CA-C 105.285 -2.116 . . . . 25.0 105.285 -177.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -67.19 -14.72 44.14 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 115.731 -2.38 . . . . 25.0 112.79 175.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 84.5 mt -81.59 -3.9 54.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.765 0.317 . . . . 25.0 111.39 177.134 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 152.26 151.11 5.55 Favored Glycine 0 N--CA 1.451 -0.335 0 CA-C-O 121.605 0.559 . . . . 25.0 113.079 179.033 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.1 t -100.12 143.74 29.96 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.692 -0.855 . . . . 25.0 108.692 178.181 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -133.58 19.15 3.91 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 107.49 -1.3 . . . . 25.0 107.49 179.419 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 68.6 p -70.91 154.09 42.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.663 -0.699 . . . . 25.0 110.385 -178.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -105.83 155.42 19.33 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.193 0.52 . . . . 50.0 111.605 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 65.5 tp -121.09 131.34 54.21 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 106.493 -1.669 . . . . 25.0 106.493 175.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 44.5 mt -107.95 146.69 13.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 N-CA-C 104.046 -2.575 . . . . 25.0 104.046 177.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.405 ' HB2' ' HA ' ' A' ' 47' ' ' THR . 2.4 mm? -124.89 148.61 48.2 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 106.754 -1.572 . . . . 25.0 106.754 -176.716 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.47 ' HB2' ' H ' ' A' ' 49' ' ' GLY . 59.2 m-20 57.53 44.19 21.53 Favored 'General case' 0 C--O 1.245 0.838 0 O-C-N 124.172 0.92 . . . . 25.0 110.337 178.329 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -79.77 124.27 28.45 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.881 0.848 . . . . 25.0 110.536 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -105.02 94.23 7.44 Favored Pre-proline 0 C--N 1.318 -0.768 0 CA-C-N 114.749 -1.114 . . . . 25.0 108.687 178.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.413 ' HD2' ' HB2' ' A' ' 136' ' ' HIS . 38.7 Cg_endo -61.41 -16.46 47.42 Favored 'Trans proline' 0 CA--C 1.535 0.559 0 N-CA-C 115.131 1.166 . . . . 25.0 115.131 -179.34 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.7 t -77.56 -10.93 59.77 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 113.143 0.794 . . . . 25.0 113.143 175.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -140.51 -38.2 0.45 Allowed 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 115.037 1.495 . . . . 25.0 115.037 -173.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -79.45 159.01 27.19 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.278 0.561 . . . . 50.0 112.003 -172.316 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.404 ' HE3' ' HA ' ' A' ' 146' ' ' VAL . 32.6 tptt -133.46 149.19 51.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.017 -0.538 . . . . 25.0 111.061 -177.31 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 49.4 mt -124.96 118.02 51.87 Favored 'Isoleucine or valine' 0 C--O 1.24 0.605 0 N-CA-C 109.351 -0.611 . . . . 25.0 109.351 176.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -87.78 130.95 34.69 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-O 122.11 0.957 . . . . 25.0 108.58 176.158 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.7 m -138.23 20.99 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.944 0 CA-C-N 113.937 -1.483 . . . . 25.0 110.459 -176.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.8 t -53.22 -37.4 61.99 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 113.909 1.077 . . . . 25.0 113.909 -174.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -75.86 -6.55 51.32 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 113.834 1.05 . . . . 25.0 113.834 179.06 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 9.9 mt -103.6 -40.22 6.4 Favored 'General case' 0 C--O 1.219 -0.528 0 N-CA-C 107.593 -1.262 . . . . 25.0 107.593 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 76.95 -8.85 27.82 Favored Glycine 0 C--O 1.227 -0.303 0 CA-C-N 114.775 -1.102 . . . . 25.0 115.843 175.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -66.81 129.88 41.32 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 117.391 0.596 . . . . 25.0 110.711 -177.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 4.7 tp -143.09 -41.45 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 N-CA-C 112.715 0.635 . . . . 25.0 112.715 -178.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -63.6 147.3 50.64 Favored Glycine 0 C--O 1.217 -0.947 0 N-CA-C 109.733 -1.347 . . . . 25.0 109.733 178.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 88.0 mt -111.88 9.91 20.67 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 117.951 0.875 . . . . 25.0 112.066 -175.397 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -65.32 -42.96 95.84 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 120.022 2.769 . . . . 25.0 120.022 -169.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -132.44 -25.33 1.95 Allowed 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 116.645 2.091 . . . . 25.0 116.645 -171.409 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 82.35 8.72 85.93 Favored Glycine 0 C--N 1.323 -0.148 0 C-N-CA 120.666 -0.778 . . . . 25.0 111.618 -174.322 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -141.36 168.19 20.36 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 106.893 -1.521 . . . . 25.0 106.893 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 53.26 44.38 30.24 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.248 0.619 . . . . 25.0 112.562 177.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 82.79 0.19 89.98 Favored Glycine 0 CA--C 1.517 0.188 0 C-N-CA 120.796 -0.716 . . . . 25.0 114.828 176.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 51.8 p -102.31 162.52 12.85 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.658 -0.868 . . . . 25.0 108.658 176.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.1 mt -104.45 170.45 7.89 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 107.495 -1.298 . . . . 25.0 107.495 178.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -137.36 140.57 41.51 Favored 'General case' 0 C--N 1.317 -0.807 1 N-CA-C 100.179 -4.008 . . . . 25.0 100.179 167.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 12.2 p -125.91 146.04 32.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 N-CA-C 107.765 -1.198 . . . . 25.0 107.765 -176.157 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 65.4 p -147.11 165.89 28.59 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 107.88 -1.156 . . . . 25.0 107.88 -177.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 69.0 mt -130.98 164.96 24.21 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.838 -0.801 . . . . 25.0 108.838 -177.074 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 84.6 p -74.89 171.24 14.38 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 106.302 -1.74 . . . . 25.0 106.302 168.478 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.49 -26.42 61.27 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 113.706 1.002 . . . . 25.0 113.706 -178.092 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -102.11 -1.17 32.1 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.322 0.582 . . . . 25.0 110.339 -174.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 74.48 0.43 58.14 Favored Glycine 0 CA--C 1.521 0.416 0 CA-C-N 115.926 -0.579 . . . . 25.0 112.731 -174.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 92.7 mt -76.38 -10.25 59.26 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 113.96 1.096 . . . . 25.0 113.96 -173.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 29.9 mtt85 -136.52 149.47 48.15 Favored 'General case' 0 CA--C 1.508 -0.638 0 N-CA-C 106.716 -1.587 . . . . 25.0 106.716 177.111 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 13.5 m -129.19 141.87 51.03 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.871 -0.789 . . . . 25.0 108.871 -178.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -127.69 134.6 49.59 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 107.941 -1.133 . . . . 25.0 107.941 178.031 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 5.6 mp -123.49 128.43 49.78 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.675 -1.232 . . . . 25.0 107.675 -176.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -131.3 133.75 45.68 Favored 'General case' 0 C--O 1.214 -0.79 0 N-CA-C 109.725 -0.472 . . . . 25.0 109.725 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 27.3 t -136.1 164.55 27.76 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 106.081 -1.822 . . . . 25.0 106.081 175.134 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -152.11 136.5 16.77 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 107.911 -1.144 . . . . 25.0 107.911 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -119.71 149.37 42.12 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.343 -0.984 . . . . 25.0 108.343 177.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -139.89 15.5 2.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.916 0.389 . . . . 25.0 111.98 173.046 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -77.68 -39.11 45.98 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 107.843 -1.169 . . . . 25.0 107.843 179.498 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -146.61 15.03 1.24 Allowed 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.657 0.614 . . . . 25.0 112.657 179.468 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -132.74 -65.05 0.73 Allowed 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 115.049 1.5 . . . . 25.0 115.049 -176.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 77.1 34.46 41.64 Favored Glycine 0 C--N 1.316 -0.557 0 N-CA-C 108.698 -1.761 . . . . 25.0 108.698 -172.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 25.7 mmt180 -133.48 157.35 45.84 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 120.915 0.388 . . . . 25.0 111.958 -173.465 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 50.1 m -90.77 146.83 23.65 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.526 -0.761 . . . . 25.0 110.057 177.103 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -130.43 116.66 18.55 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 105.52 -2.03 . . . . 25.0 105.52 176.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -138.44 146.82 42.57 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.272 0.471 . . . . 25.0 112.272 -165.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 5.1 mp -138.88 165.26 27.52 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 107.684 -1.228 . . . . 25.0 107.684 -179.088 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -144.55 151.69 39.46 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.64 -0.504 . . . . 25.0 109.64 175.073 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 45.4 mt -125.1 128.89 49.16 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 107.327 -1.36 . . . . 25.0 107.327 177.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -112.48 147.34 36.74 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 106.985 -1.487 . . . . 25.0 106.985 174.142 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 77.38 29.32 56.22 Favored Glycine 0 C--O 1.223 -0.591 0 N-CA-C 109.719 -1.352 . . . . 25.0 109.719 -178.218 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -69.07 117.05 10.23 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.061 0.458 . . . . 25.0 111.654 -178.139 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' HIS . . . . . 0.413 ' HB2' ' HD2' ' A' ' 80' ' ' PRO . 76.2 m80 -80.62 78.72 7.34 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.429 0.633 . . . . 25.0 109.716 174.504 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -61.54 -26.59 68.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.778 -0.646 . . . . 25.0 109.649 176.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.72 -25.82 67.66 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 115.877 -0.601 . . . . 25.0 110.969 176.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 68.0 p -119.69 35.18 4.93 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 111.499 0.185 . . . . 25.0 111.499 178.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.8 pp -56.84 154.72 8.84 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 121.626 0.727 . . . . 25.0 112.603 -176.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 41.2 t -149.57 150.47 32.3 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.685 -0.688 . . . . 25.0 109.902 -178.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -88.66 1.8 54.4 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-O 121.466 0.65 . . . . 25.0 109.608 176.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -99.7 10.27 60.72 Favored Glycine 0 C--O 1.221 -0.665 0 N-CA-C 116.012 1.165 . . . . 25.0 116.012 -175.05 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -62.51 -43.0 99.89 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 118.819 1.31 . . . . 25.0 112.159 -176.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 58.7 mt -73.31 143.97 13.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 107.385 -1.339 . . . . 25.0 107.385 -177.245 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.404 ' HA ' ' HE3' ' A' ' 84' ' ' LYS . 10.6 p -52.99 -34.55 20.92 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 N-CA-C 113.468 0.914 . . . . 25.0 113.468 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -75.01 -17.77 60.47 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.822 0.675 . . . . 25.0 112.822 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . 58.33 -166.37 0.16 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.357 1.063 . . . . 25.0 111.402 -175.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . 55.22 23.3 5.35 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 114.448 1.277 . . . . 25.0 114.448 179.399 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -81.28 62.17 5.08 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 121.256 0.551 . . . . 25.0 110.843 -179.417 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 10.7 t -76.3 143.19 72.61 Favored Pre-proline 0 C--N 1.321 -0.631 0 N-CA-C 108.065 -1.087 . . . . 25.0 108.065 -179.374 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -75.11 168.58 24.44 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 117.594 -1.137 . . . . 25.0 112.468 179.334 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.258 0 N-CA-C 105.479 -3.048 . . . . 25.0 105.479 177.721 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 206' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.661 0 CA-C-O 118.825 -0.607 . . . . 25.0 109.993 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 48.31 90.83 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 116.763 2.134 . . . . 25.0 116.763 177.112 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.1 167.43 45.55 Favored Glycine 0 C--N 1.323 -0.174 0 N-CA-C 110.753 -0.939 . . . . 25.0 110.753 174.19 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 71.4 p -87.26 -175.22 5.21 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.315 -0.624 . . . . 25.0 109.315 178.38 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -87.47 6.13 35.55 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.953 0.882 . . . . 25.0 111.041 173.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -89.22 -160.32 36.34 Favored Glycine 0 C--N 1.323 -0.193 0 N-CA-C 108.952 -1.659 . . . . 25.0 108.952 173.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -94.84 121.83 36.84 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 107.752 -1.203 . . . . 25.0 107.752 177.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -124.51 156.99 36.36 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.321 0.582 . . . . 50.0 111.989 -174.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 94.0 t -123.99 114.64 42.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 105.219 -2.141 . . . . 25.0 105.219 170.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.4 mt -113.98 142.32 46.3 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.471 -0.937 . . . . 25.0 108.471 -176.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.493 ' HA ' ' HB3' ' A' ' 29' ' ' ASP . 36.7 mm -125.84 136.69 60.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 107.203 -1.406 . . . . 25.0 107.203 -178.045 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -94.09 -179.34 38.59 Favored Glycine 0 C--O 1.23 -0.156 0 C-N-CA 121.077 -0.582 . . . . 25.0 112.751 179.239 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 81.2 p -132.84 179.28 6.26 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.243 -1.021 . . . . 25.0 108.243 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -70.75 -24.53 62.63 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 114.884 1.439 . . . . 25.0 114.884 -174.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.5 m -76.98 165.8 2.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.824 -0.435 . . . . 25.0 109.824 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.6 138.11 26.9 Favored Glycine 0 C--N 1.325 -0.083 0 N-CA-C 110.32 -1.112 . . . . 25.0 110.32 177.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -140.29 163.07 33.75 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 112.862 0.69 . . . . 50.0 112.862 -173.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.2 tm0? -119.84 120.82 37.61 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 104.287 -2.486 . . . . 25.0 104.287 172.284 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 55.9 mt -132.98 105.53 8.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 122.484 1.135 . . . . 25.0 109.998 -177.062 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.5 p -93.06 139.81 30.15 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-N 114.476 -1.238 . . . . 25.0 108.753 176.194 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -97.32 -24.57 12.3 Favored Glycine 0 CA--C 1.517 0.165 0 N-CA-C 114.409 0.524 . . . . 25.0 114.409 -178.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.13 -168.43 52.17 Favored Glycine 0 C--O 1.244 0.761 0 CA-C-N 117.324 0.562 . . . . 25.0 112.749 -178.188 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.96 -179.32 1.84 Allowed 'General case' 0 CA--C 1.538 0.497 0 O-C-N 122.037 -0.684 . . . . 25.0 109.203 176.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.74 171.03 41.42 Favored Glycine 0 C--O 1.241 0.575 0 C-N-CA 121.089 -0.577 . . . . 25.0 112.031 -178.502 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -93.09 119.42 32.29 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.001 -1.111 . . . . 25.0 108.001 -178.049 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -127.51 163.27 24.5 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 114.613 1.338 . . . . 50.0 114.613 -170.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 78.1 ttt-85 -116.44 132.62 56.62 Favored 'General case' 0 CA--C 1.51 -0.558 0 N-CA-C 105.535 -2.024 . . . . 25.0 105.535 162.474 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.2 mp -121.08 149.69 42.34 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 104.753 -2.314 . . . . 25.0 104.753 176.381 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.493 ' HB3' ' HA ' ' A' ' 11' ' ' ILE . 8.2 t70 -146.18 139.0 25.57 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 104.945 -2.243 . . . . 25.0 104.945 179.014 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -106.16 -19.24 10.24 Favored Glycine 0 C--O 1.226 -0.398 0 O-C-N 123.503 0.502 . . . . 25.0 113.989 -176.014 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 64.3 -158.48 42.44 Favored Glycine 0 C--O 1.245 0.813 0 N-CA-C 111.43 -0.668 . . . . 25.0 111.43 -175.034 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.23 175.61 7.42 Favored 'General case' 0 C--O 1.242 0.703 0 O-C-N 121.995 -0.709 . . . . 25.0 109.997 178.02 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 78.6 167.96 32.98 Favored Glycine 0 C--O 1.24 0.521 0 N-CA-C 111.558 -0.617 . . . . 25.0 111.558 -178.411 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -81.88 139.53 34.63 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 107.087 -1.449 . . . . 25.0 107.087 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -141.13 153.43 45.38 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 113.712 1.004 . . . . 50.0 113.712 -173.013 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.3 mp -114.82 116.33 28.41 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 107.447 -1.316 . . . . 25.0 107.447 177.451 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.5 mp -122.7 134.25 54.47 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 111.732 0.271 . . . . 25.0 111.732 -176.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -115.48 127.06 55.05 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 109.245 -0.65 . . . . 25.0 109.245 177.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -76.75 -46.69 10.8 Favored Glycine 0 C--O 1.246 0.892 0 C-N-CA 119.931 -1.128 . . . . 25.0 113.409 -178.342 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.48 -177.88 52.34 Favored Glycine 0 C--O 1.245 0.821 0 N-CA-C 110.103 -1.199 . . . . 25.0 110.103 -175.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.53 162.8 9.79 Favored 'General case' 0 C--O 1.244 0.814 0 N-CA-C 109.779 -0.452 . . . . 25.0 109.779 177.353 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 86.29 170.0 46.5 Favored Glycine 0 C--O 1.238 0.349 0 N-CA-C 110.523 -1.031 . . . . 25.0 110.523 -176.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.8 ptt180 -91.26 136.23 33.24 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 106.605 -1.628 . . . . 25.0 106.605 179.29 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -133.34 157.28 45.9 Favored 'General case' 0 C--N 1.317 -0.825 0 O-C-N 122.16 -0.337 . . . . 50.0 111.567 -172.588 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -118.26 105.18 11.5 Favored 'General case' 0 C--O 1.22 -0.493 0 N-CA-C 106.829 -1.545 . . . . 25.0 106.829 175.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.7 mp -104.37 102.7 12.37 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 122.366 0.267 . . . . 25.0 110.983 -174.252 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.0 m -89.61 113.53 24.99 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.504 -0.554 . . . . 25.0 109.504 -179.433 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -83.73 -43.1 7.42 Favored Glycine 0 C--O 1.246 0.847 0 C-N-CA 120.058 -1.068 . . . . 25.0 113.123 -176.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.43 -161.39 53.52 Favored Glycine 0 C--O 1.241 0.565 0 C-N-CA 121.045 -0.597 . . . . 25.0 111.611 -178.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 86.7 mt -63.52 155.45 29.34 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.107 0.48 . . . . 25.0 111.101 179.015 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 92.44 166.55 39.19 Favored Glycine 0 C--O 1.244 0.769 0 CA-C-N 115.186 -0.915 . . . . 25.0 111.266 -179.064 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -84.27 118.15 24.0 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 107.053 -1.462 . . . . 25.0 107.053 178.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -116.37 139.7 50.13 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.48 -0.563 . . . . 50.0 109.48 -174.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.9 t -113.58 135.04 54.34 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.419 -0.956 . . . . 25.0 108.419 175.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -117.04 114.41 23.73 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 106.598 -1.63 . . . . 25.0 106.598 -177.375 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 43.3 ttt-85 -114.07 148.76 36.56 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.512 0.672 . . . . 25.0 112.173 -172.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 30.9 p90 -74.35 157.3 35.97 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.167 -1.049 . . . . 25.0 108.167 171.59 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -111.07 -42.42 3.96 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 107.264 -1.384 . . . . 25.0 107.264 169.299 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.3 mp -133.58 172.0 13.34 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 107.499 -1.297 . . . . 25.0 107.499 176.186 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 41.5 ptt180 -65.78 -15.3 62.74 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-O 121.587 0.708 . . . . 25.0 110.958 173.291 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -80.57 -0.98 40.14 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.37 -0.832 . . . . 25.0 111.987 -178.481 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.41 -31.91 72.67 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 113.144 0.794 . . . . 25.0 113.144 -176.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.1 m -150.54 98.28 2.62 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.566 0.698 . . . . 25.0 109.652 177.593 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -140.2 148.66 41.89 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.301 -1.0 . . . . 25.0 108.301 -174.083 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -136.03 142.19 44.41 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.263 -0.643 . . . . 25.0 109.263 175.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 87.7 p -150.72 168.41 11.07 Favored Pre-proline 0 C--N 1.322 -0.599 0 N-CA-C 104.701 -2.333 . . . . 25.0 104.701 178.192 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -70.44 -7.68 21.83 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 115.446 -2.569 . . . . 25.0 113.262 177.397 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 78.9 mt -90.36 -7.75 52.48 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.872 0.323 . . . . 25.0 111.872 179.491 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 164.88 157.63 9.8 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.365 -0.921 . . . . 25.0 114.464 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.8 t -115.93 124.81 51.5 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.813 0.816 . . . . 25.0 109.438 178.538 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -122.68 14.21 10.11 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.316 -0.994 . . . . 25.0 108.316 -176.381 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 55.0 p -67.36 139.83 57.21 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 115.193 -0.912 . . . . 25.0 110.718 -178.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -90.47 154.55 19.56 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.573 0.701 . . . . 50.0 112.517 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.28 130.84 55.62 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 106.156 -1.794 . . . . 25.0 106.156 176.432 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 38.7 mt -107.99 144.94 15.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 N-CA-C 104.358 -2.46 . . . . 25.0 104.358 176.425 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -122.9 144.1 49.44 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 108.456 -0.942 . . . . 25.0 108.456 -175.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 57.06 50.47 11.97 Favored 'General case' 0 C--O 1.242 0.707 0 O-C-N 124.387 1.054 . . . . 25.0 109.441 178.312 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -85.96 131.44 34.28 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.462 -1.245 . . . . 25.0 112.04 -176.187 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -104.58 96.6 10.58 Favored Pre-proline 0 C--N 1.324 -0.515 0 N-CA-C 108.894 -0.78 . . . . 25.0 108.894 178.172 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -64.17 -15.36 49.0 Favored 'Trans proline' 0 CA--C 1.533 0.467 0 N-CA-C 116.771 1.796 . . . . 25.0 116.771 -175.138 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 18.3 m -98.09 2.13 48.35 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 113.499 0.925 . . . . 25.0 113.499 175.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -135.6 -37.41 0.76 Allowed 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 113.744 1.016 . . . . 25.0 113.744 -177.41 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -80.9 172.8 13.29 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 110.122 -0.325 . . . . 50.0 110.122 -176.334 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 38.1 tptt -139.25 142.58 37.8 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 122.518 0.327 . . . . 25.0 110.77 -176.68 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 46.4 mt -125.73 115.41 43.06 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 N-CA-C 109.074 -0.713 . . . . 25.0 109.074 176.49 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.403 ' HA ' ' HB ' ' A' ' 146' ' ' VAL . 79.1 m-20 -97.5 111.12 23.52 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.27 0.557 . . . . 25.0 110.232 179.517 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 24.4 m -116.54 26.9 3.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 CA-C-O 122.11 0.957 . . . . 25.0 110.224 -179.126 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.38 19.91 0.06 Allowed 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 115.548 1.685 . . . . 25.0 115.548 -177.471 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.9 -34.9 79.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.352 0.596 . . . . 25.0 110.009 178.097 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 16.3 mt -127.61 -44.33 1.53 Allowed 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 106.775 -1.565 . . . . 25.0 106.775 177.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 91.14 161.02 37.0 Favored Glycine 0 C--O 1.227 -0.299 0 N-CA-C 108.369 -1.892 . . . . 25.0 108.369 -175.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -136.09 135.92 39.71 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.41 -0.959 . . . . 25.0 108.41 -178.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 14.3 tt -87.8 -9.62 10.95 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 CA-C-O 121.548 0.689 . . . . 25.0 111.385 -174.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -150.2 164.48 29.7 Favored Glycine 0 CA--C 1.509 -0.318 0 N-CA-C 110.13 -1.188 . . . . 25.0 110.13 179.412 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 55.1 mt -122.23 2.66 9.79 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 114.424 1.268 . . . . 25.0 114.424 -173.041 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -116.92 -28.51 2.43 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 119.221 2.449 . . . . 25.0 119.221 -174.029 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -89.53 -28.66 19.46 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 115.047 1.499 . . . . 25.0 115.047 -169.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 78.57 4.19 87.31 Favored Glycine 0 CA--C 1.519 0.34 0 N-CA-C 116.338 1.295 . . . . 25.0 116.338 177.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -141.48 167.43 22.18 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.553 -0.906 . . . . 25.0 108.553 -178.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 53.77 46.41 25.89 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 121.21 0.529 . . . . 25.0 112.349 178.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 74.78 26.87 66.07 Favored Glycine 0 C--O 1.229 -0.197 0 C-N-CA 120.523 -0.846 . . . . 25.0 114.115 176.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 47.0 p -124.81 160.49 28.61 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.173 -0.677 . . . . 25.0 109.173 176.574 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.7 mt -98.56 171.87 7.86 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.403 -0.962 . . . . 25.0 108.403 179.27 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -157.45 162.11 38.94 Favored 'General case' 0 C--O 1.24 0.567 0 N-CA-C 104.278 -2.489 . . . . 25.0 104.278 173.029 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 8.9 p -134.23 153.56 36.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 109.539 -0.541 . . . . 25.0 109.539 -179.017 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 50.9 m -144.35 159.08 43.32 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 106.76 -1.57 . . . . 25.0 106.76 177.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 48.0 mt -132.15 159.42 39.01 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.124 0.488 . . . . 25.0 110.785 -177.07 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 78.0 p -75.52 169.93 17.13 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 106.423 -1.695 . . . . 25.0 106.423 168.443 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -54.69 -35.09 63.22 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 114.573 1.323 . . . . 25.0 114.573 -176.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -103.63 3.52 34.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.76 0.791 . . . . 25.0 110.033 -174.339 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 72.75 -0.14 46.01 Favored Glycine 0 CA--C 1.522 0.495 0 CA-C-N 115.63 -0.713 . . . . 25.0 113.559 -175.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 89.6 mt -68.12 -19.82 64.86 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 112.958 0.725 . . . . 25.0 112.958 -175.007 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 83.4 mtm180 -131.73 148.98 52.62 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 107.211 -1.403 . . . . 25.0 107.211 175.414 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 16.0 m -133.54 152.42 51.9 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.566 -0.902 . . . . 25.0 108.566 -175.117 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -134.32 143.68 47.85 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 106.701 -1.592 . . . . 25.0 106.701 179.441 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.7 mp -124.52 139.48 53.84 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 106.13 -1.804 . . . . 25.0 106.13 -178.208 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.55 136.49 39.34 Favored 'General case' 0 C--O 1.218 -0.587 0 N-CA-C 112.105 0.409 . . . . 25.0 112.105 -175.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 30.1 t -148.28 160.89 42.51 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 107.897 -1.149 . . . . 25.0 107.897 175.428 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -150.72 139.15 20.45 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.663 -0.495 . . . . 25.0 109.663 179.076 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -114.68 140.92 48.45 Favored 'General case' 0 CA--C 1.505 -0.771 0 N-CA-C 106.902 -1.518 . . . . 25.0 106.902 173.287 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -142.64 15.4 1.97 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.255 0.55 . . . . 25.0 111.258 177.154 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.83 -31.2 51.51 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 107.999 -1.111 . . . . 25.0 107.999 -178.515 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -152.15 -34.6 0.13 Allowed 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 113.68 0.992 . . . . 25.0 113.68 178.474 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -88.03 -40.48 13.81 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.709 0.633 . . . . 25.0 112.709 -173.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 66.79 42.64 92.95 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 120.961 -0.638 . . . . 25.0 111.74 -178.062 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 83.5 mmt-85 -131.78 154.99 48.52 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 113.52 0.933 . . . . 25.0 113.52 -174.196 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.55 138.83 31.17 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.022 -0.99 . . . . 25.0 110.86 176.075 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -127.76 104.84 8.06 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 105.812 -1.921 . . . . 25.0 105.812 177.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 74.5 mt-10 -134.86 150.28 50.44 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.884 -0.413 . . . . 25.0 109.884 -168.143 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.7 mp -138.31 172.01 13.54 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 109.186 -0.672 . . . . 25.0 109.186 -176.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -144.54 156.81 44.33 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 120.668 0.27 . . . . 25.0 110.389 174.437 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 33.9 mt -130.37 130.78 44.82 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 106.566 -1.642 . . . . 25.0 106.566 176.479 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -118.73 146.15 44.98 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 105.618 -1.993 . . . . 25.0 105.618 174.683 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 74.73 37.1 46.16 Favored Glycine 0 C--O 1.226 -0.344 0 N-CA-C 108.943 -1.663 . . . . 25.0 108.943 -176.05 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -82.77 123.76 29.63 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.244 -0.478 . . . . 25.0 110.905 -178.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 73.9 m80 -80.39 75.86 7.21 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.248 0.547 . . . . 25.0 110.197 175.415 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -61.72 -26.67 68.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.861 -0.609 . . . . 25.0 110.528 177.338 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.53 -23.54 66.0 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 116.252 -0.431 . . . . 25.0 110.474 175.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 70.3 p -116.55 27.23 9.32 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 112.086 0.402 . . . . 25.0 112.086 177.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.1 pp -59.5 142.19 53.08 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 122.096 0.95 . . . . 25.0 112.284 -174.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 31.2 t -156.12 154.3 30.69 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 104.78 -2.304 . . . . 25.0 104.78 178.688 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -95.05 -1.4 52.3 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.722 0.296 . . . . 25.0 110.841 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -63.6 -18.4 61.36 Favored Glycine 0 CA--C 1.521 0.435 0 N-CA-C 115.451 0.94 . . . . 25.0 115.451 -176.027 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 17.2 p30 -71.03 -13.5 62.01 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 114.351 1.241 . . . . 25.0 114.351 -178.505 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 10.8 pt -78.92 144.27 11.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 121.531 -0.73 . . . . 25.0 110.212 -179.045 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.403 ' HB ' ' HA ' ' A' ' 86' ' ' ASP . 8.2 p -60.73 -25.91 36.63 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 N-CA-C 112.399 0.518 . . . . 25.0 112.399 -179.14 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -74.28 -21.13 59.89 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 113.328 0.862 . . . . 25.0 113.328 -177.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . 52.51 -152.98 0.24 Allowed 'General case' 0 CA--C 1.54 0.565 0 O-C-N 123.646 0.591 . . . . 25.0 110.326 -176.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . 62.26 -16.85 0.05 OUTLIER 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 118.328 2.714 . . . . 25.0 118.328 174.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -75.28 67.43 1.88 Allowed 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 113.22 0.822 . . . . 25.0 113.22 -178.258 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 4.7 t -93.94 148.79 35.87 Favored Pre-proline 0 C--N 1.322 -0.591 0 N-CA-C 107.609 -1.256 . . . . 25.0 107.609 177.297 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -75.71 165.66 29.83 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 116.799 -1.667 . . . . 25.0 112.271 178.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.372 0 N-CA-C 105.828 -2.909 . . . . 25.0 105.828 178.663 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 206' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.74 0 CA-C-O 118.245 -0.883 . . . . 25.0 109.751 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 39.24 96.24 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 117.508 2.41 . . . . 25.0 117.508 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -71.92 147.24 41.16 Favored Glycine 0 C--O 1.227 -0.299 0 C-N-CA 120.035 -1.079 . . . . 25.0 111.802 176.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 68.9 p -86.93 -174.99 5.2 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 107.842 -1.17 . . . . 25.0 107.842 177.024 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -87.22 5.08 39.9 Favored 'General case' 0 C--N 1.321 -0.659 0 O-C-N 121.16 -0.963 . . . . 25.0 111.449 173.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -89.01 -160.47 36.49 Favored Glycine 0 N--CA 1.459 0.211 0 N-CA-C 108.403 -1.879 . . . . 25.0 108.403 172.281 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -93.01 128.21 38.8 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.945 -1.131 . . . . 25.0 107.945 177.27 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -127.62 155.66 43.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.223 0.535 . . . . 50.0 111.919 -176.138 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 88.0 t -120.48 117.41 53.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 105.167 -2.16 . . . . 25.0 105.167 171.043 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 70.9 mt -121.66 131.82 54.31 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.33 -0.989 . . . . 25.0 108.33 -175.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 73.8 mt -132.04 128.39 59.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 107.157 -1.423 . . . . 25.0 107.157 -178.595 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -92.58 163.01 27.07 Favored Glycine 0 N--CA 1.45 -0.387 0 CA-C-O 121.901 0.723 . . . . 25.0 113.334 -179.237 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 94.1 p -94.19 -177.56 4.33 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 123.834 0.854 . . . . 25.0 109.385 179.217 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -72.94 -15.25 61.57 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 115.897 1.814 . . . . 25.0 115.897 -176.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.6 m -83.28 166.57 2.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 109.189 -0.671 . . . . 25.0 109.189 177.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.33 137.94 28.48 Favored Glycine 0 CA--C 1.518 0.263 0 C-N-CA 120.526 -0.845 . . . . 25.0 111.09 178.308 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -144.67 165.4 28.14 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 117.493 0.646 . . . . 75.0 112.319 -173.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -119.74 115.94 24.92 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 106.37 -1.715 . . . . 25.0 106.37 173.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 37.8 mm -118.43 124.57 73.33 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 N-CA-C 109.56 -0.533 . . . . 25.0 109.56 -174.193 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.7 m -124.06 134.24 53.45 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 110.115 -0.328 . . . . 25.0 110.115 178.378 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -96.14 -21.8 21.77 Favored Glycine 0 CA--C 1.521 0.407 0 N-CA-C 116.838 1.495 . . . . 25.0 116.838 -174.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.71 -165.09 54.7 Favored Glycine 0 CA--C 1.525 0.709 0 CA-C-N 118.059 0.93 . . . . 25.0 112.589 -178.069 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.38 -179.87 2.65 Favored 'General case' 0 CA--C 1.535 0.396 0 O-C-N 121.766 -0.844 . . . . 25.0 109.36 177.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.51 170.86 40.62 Favored Glycine 0 C--O 1.243 0.675 0 C-N-CA 121.067 -0.587 . . . . 25.0 112.514 -178.155 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -91.38 117.39 29.63 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 108.538 -0.912 . . . . 25.0 108.538 -178.088 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -125.4 169.74 12.06 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 114.024 1.12 . . . . 50.0 114.024 -171.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 52.1 ttt180 -124.53 130.06 51.76 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 107.87 -1.159 . . . . 25.0 107.87 166.274 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.9 mp -125.45 105.11 8.82 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.295 -0.631 . . . . 25.0 109.295 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -103.4 135.84 44.26 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 106.255 -1.758 . . . . 25.0 106.255 175.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -98.22 -25.53 10.21 Favored Glycine 0 CA--C 1.52 0.397 0 N-CA-C 114.644 0.618 . . . . 25.0 114.644 -176.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 71.6 -159.58 53.85 Favored Glycine 0 C--O 1.243 0.697 0 N-CA-C 111.437 -0.665 . . . . 25.0 111.437 -177.462 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.86 175.98 6.79 Favored 'General case' 0 C--O 1.245 0.819 0 O-C-N 121.969 -0.724 . . . . 25.0 109.718 178.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.84 166.35 35.33 Favored Glycine 0 N--CA 1.452 -0.263 0 N-CA-C 110.271 -1.132 . . . . 25.0 110.271 -177.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -83.31 129.58 35.01 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 107.078 -1.453 . . . . 25.0 107.078 -179.141 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -131.41 149.99 52.32 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 113.634 0.976 . . . . 50.0 113.634 -171.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.2 mp -108.66 128.43 54.85 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 106.13 -1.804 . . . . 25.0 106.13 174.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 mp -128.82 117.73 21.56 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 112.157 0.428 . . . . 25.0 112.157 -176.422 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -115.31 105.9 13.4 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 121.212 0.53 . . . . 25.0 109.759 179.24 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -64.51 -40.01 97.31 Favored Glycine 0 C--O 1.249 1.058 0 N-CA-C 114.895 0.718 . . . . 25.0 114.895 -176.343 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.65 179.69 53.0 Favored Glycine 0 CA--C 1.517 0.21 0 N-CA-C 110.62 -0.992 . . . . 25.0 110.62 -177.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.43 157.62 10.9 Favored 'General case' 0 CA--C 1.545 0.75 0 O-C-N 121.905 -0.762 . . . . 25.0 110.538 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.96 166.85 41.8 Favored Glycine 0 C--O 1.243 0.687 0 N-CA-C 110.303 -1.119 . . . . 25.0 110.303 -176.192 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 -88.54 133.28 34.2 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 107.174 -1.417 . . . . 25.0 107.174 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -128.05 160.8 30.84 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-O 120.971 0.415 . . . . 50.0 110.539 -173.24 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -122.94 124.18 42.61 Favored 'General case' 0 CA--C 1.509 -0.61 0 N-CA-C 104.466 -2.42 . . . . 25.0 104.466 -178.113 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.3 mp -128.11 142.28 51.24 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 118.372 0.533 . . . . 25.0 111.649 -172.669 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.6 m -129.77 107.78 9.67 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.334 -0.617 . . . . 25.0 109.334 179.001 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -75.35 -39.57 35.73 Favored Glycine 0 C--O 1.241 0.55 0 C-N-CA 120.074 -1.06 . . . . 25.0 114.549 -175.387 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.03 -162.68 54.11 Favored Glycine 0 C--O 1.236 0.276 0 C-N-CA 121.123 -0.56 . . . . 25.0 112.448 -178.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.5 mt -64.92 160.4 20.68 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-O 120.897 0.379 . . . . 25.0 110.739 178.137 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 91.46 167.03 40.56 Favored Glycine 0 C--O 1.246 0.857 0 N-CA-C 110.275 -1.13 . . . . 25.0 110.275 -177.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.31 124.8 30.97 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 106.062 -1.829 . . . . 25.0 106.062 177.272 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -124.16 142.83 50.89 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.79 -0.448 . . . . 50.0 109.79 -175.264 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.8 t -120.92 135.78 55.11 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.868 0.842 . . . . 25.0 108.997 175.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -113.32 117.31 31.47 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 105.257 -2.127 . . . . 25.0 105.257 -178.234 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 52.6 ttt85 -123.9 144.83 49.53 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.019 0.914 . . . . 25.0 112.399 -171.622 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 29.3 p90 -72.84 137.21 45.57 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.486 -1.234 . . . . 25.0 109.503 175.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -98.16 -25.53 14.87 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 108.905 -0.776 . . . . 25.0 108.905 172.626 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.1 mp -137.48 164.33 28.95 Favored 'General case' 0 C--O 1.214 -0.777 0 N-CA-C 107.398 -1.334 . . . . 25.0 107.398 178.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 37.6 ptt180 -71.57 -14.9 62.23 Favored 'General case' 0 C--O 1.216 -0.694 0 CA-C-O 121.305 0.574 . . . . 25.0 110.913 173.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -103.6 12.04 35.41 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.678 -0.692 . . . . 25.0 109.868 -178.23 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -60.07 -35.1 74.43 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 116.132 -0.485 . . . . 25.0 110.744 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 39.8 m -139.39 109.79 6.57 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.781 -1.192 . . . . 25.0 107.781 175.308 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -153.69 153.45 32.28 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.693 -1.225 . . . . 25.0 107.693 -170.426 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -138.1 144.19 40.75 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 109.349 -0.611 . . . . 25.0 109.349 176.155 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 86.4 p -154.21 170.14 8.92 Favored Pre-proline 0 C--N 1.323 -0.559 0 N-CA-C 106.287 -1.746 . . . . 25.0 106.287 -178.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -69.48 -8.5 23.77 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 115.382 -2.612 . . . . 25.0 113.642 176.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 75.2 mt -79.4 -11.88 59.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.136 0.493 . . . . 25.0 110.737 177.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 145.16 174.88 17.82 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 121.119 -0.563 . . . . 25.0 113.006 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.0 t -108.14 141.22 40.19 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.592 0.71 . . . . 25.0 109.44 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -130.18 10.35 5.35 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 107.137 -1.431 . . . . 25.0 107.137 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 79.5 p -70.59 140.91 51.8 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-N 115.653 -0.703 . . . . 25.0 110.235 -177.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -88.91 152.1 21.93 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.272 0.558 . . . . 50.0 111.442 179.266 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.3 mp -121.92 128.32 51.42 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.77 -1.196 . . . . 25.0 107.77 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 12.1 mt -104.23 137.33 33.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 N-CA-C 105.409 -2.071 . . . . 25.0 105.409 175.26 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -89.63 -34.45 16.3 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.331 -0.85 . . . . 25.0 111.541 -173.155 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -139.11 119.64 13.97 Favored 'General case' 0 C--O 1.241 0.642 0 N-CA-C 107.276 -1.379 . . . . 25.0 107.276 -178.022 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -139.23 127.7 22.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.918 0.39 . . . . 25.0 110.047 -178.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -98.29 105.8 31.35 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.585 -0.734 . . . . 25.0 109.571 -179.268 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -69.54 -7.67 21.59 Favored 'Trans proline' 0 C--O 1.217 -0.544 0 C-N-CA 117.458 -1.228 . . . . 25.0 113.727 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 43.9 t -90.19 -10.84 42.95 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.211 0.448 . . . . 25.0 112.211 176.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 82.4 mm-40 -138.54 -28.21 0.83 Allowed 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 114.686 1.365 . . . . 25.0 114.686 -171.132 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -100.85 158.52 15.91 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.579 0.585 . . . . 50.0 112.579 -168.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 41.3 tptt -132.03 148.91 52.53 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.008 -0.542 . . . . 25.0 111.74 -174.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 45.8 mt -124.0 115.95 46.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 N-CA-C 109.676 -0.49 . . . . 25.0 109.676 176.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -94.62 116.51 28.85 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.655 -0.498 . . . . 25.0 109.655 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 22.2 m -124.3 28.09 2.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 CA-C-O 122.045 0.926 . . . . 25.0 109.591 -178.632 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.08 21.56 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 115.013 1.486 . . . . 25.0 115.013 -176.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.08 -40.43 90.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.556 0.693 . . . . 25.0 110.816 -178.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 18.3 mt -131.06 -42.43 1.09 Allowed 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 105.5 -2.037 . . . . 25.0 105.5 177.293 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 96.71 167.81 33.65 Favored Glycine 0 N--CA 1.447 -0.619 0 N-CA-C 108.483 -1.847 . . . . 25.0 108.483 -178.008 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -134.33 131.37 38.24 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 106.916 -1.513 . . . . 25.0 106.916 179.233 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 13.9 tt -81.84 -9.05 11.71 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 CA-C-O 121.576 0.703 . . . . 25.0 111.445 -173.098 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -156.98 167.01 33.69 Favored Glycine 0 CA--C 1.508 -0.4 0 N-CA-C 108.774 -1.73 . . . . 25.0 108.774 177.651 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 82.9 mt -120.53 4.63 10.65 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 113.769 1.026 . . . . 25.0 113.769 -175.137 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -110.17 -30.62 3.33 Favored Glycine 0 CA--C 1.528 0.863 0 N-CA-C 120.763 3.065 . . . . 25.0 120.763 -173.151 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -95.85 -26.08 15.77 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 116.039 1.866 . . . . 25.0 116.039 -169.57 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 77.95 4.71 86.2 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 115.621 1.008 . . . . 25.0 115.621 178.07 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -139.96 167.75 21.4 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 107.202 -1.407 . . . . 25.0 107.202 -179.161 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 54.02 44.53 29.18 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 121.514 0.673 . . . . 25.0 112.248 177.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 76.56 19.23 78.27 Favored Glycine 0 N--CA 1.452 -0.263 0 N-CA-C 114.653 0.621 . . . . 25.0 114.653 176.646 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 53.1 p -116.72 158.03 24.5 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 118.072 0.936 . . . . 25.0 110.223 178.299 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.3 mt -92.5 172.56 8.3 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.306 -0.998 . . . . 25.0 108.306 177.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -159.37 160.03 34.5 Favored 'General case' 0 C--O 1.244 0.769 0 N-CA-C 103.668 -2.716 . . . . 25.0 103.668 173.108 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 5.4 p -141.43 155.49 20.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.152 0.501 . . . . 25.0 111.466 -177.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 22.2 p -138.84 144.6 39.32 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 100.763 -3.791 . . . . 25.0 100.763 172.349 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.1 mt -127.58 153.08 46.83 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 118.033 2.605 . . . . 25.0 118.033 -166.104 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.0 t -68.18 47.15 0.05 OUTLIER 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 115.964 1.838 . . . . 25.0 115.964 173.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -55.36 -52.69 62.69 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.91 0.386 . . . . 25.0 111.037 -177.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -104.61 33.88 3.37 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.459 0.647 . . . . 25.0 109.769 179.291 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 79.01 17.6 76.62 Favored Glycine 0 CA--C 1.521 0.412 0 C-N-CA 120.779 -0.724 . . . . 25.0 112.041 -176.239 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 50.7 mt -70.05 -11.55 60.96 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 116.149 1.907 . . . . 25.0 116.149 -173.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 83.5 mtt-85 82.54 141.99 0.07 Allowed 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 126.389 1.875 . . . . 25.0 106.626 -177.307 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.419 ' HB ' ' HB2' ' A' ' 132' ' ' LEU . 88.5 m -103.91 132.95 49.67 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 107.031 -1.47 . . . . 25.0 107.031 -176.339 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -123.66 134.31 53.77 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.526 -0.916 . . . . 25.0 108.526 178.587 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.5 mp -110.76 126.99 55.17 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 104.729 -2.322 . . . . 25.0 104.729 178.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -130.49 132.92 45.89 Favored 'General case' 0 C--O 1.217 -0.622 0 CA-C-N 117.761 0.255 . . . . 25.0 111.342 -176.42 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 32.7 t -141.52 155.24 45.82 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.334 -0.987 . . . . 25.0 108.334 175.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -141.9 124.73 16.05 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.144 -1.058 . . . . 25.0 108.144 176.018 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.19 145.51 24.66 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 106.097 -1.816 . . . . 25.0 106.097 177.647 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -136.34 17.32 3.17 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.1 -0.704 . . . . 25.0 109.1 178.319 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -124.95 -41.03 2.12 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.87 -1.059 . . . . 25.0 113.084 -165.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -118.79 -26.27 6.12 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 113.241 0.83 . . . . 25.0 113.241 -176.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -132.09 -34.59 1.26 Allowed 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 113.918 1.081 . . . . 25.0 113.918 -174.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 69.21 36.7 80.08 Favored Glycine 0 CA--C 1.519 0.306 0 C-N-CA 121.047 -0.597 . . . . 25.0 112.093 -176.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 89.9 mmt-85 -134.79 160.45 38.15 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 117.723 0.762 . . . . 25.0 112.2 -174.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 46.3 m -92.42 134.38 35.0 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.75 -0.659 . . . . 25.0 110.239 177.107 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -125.75 119.17 27.23 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 105.965 -1.865 . . . . 25.0 105.965 178.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -141.08 152.33 44.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.872 -0.604 . . . . 25.0 109.774 -167.251 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.0 mp -140.58 166.89 23.5 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 108.364 -0.976 . . . . 25.0 108.364 -179.423 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -139.3 149.49 44.3 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.944 0.402 . . . . 25.0 111.54 176.405 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.419 ' HB2' ' HB ' ' A' ' 114' ' ' THR . 35.6 mt -131.04 112.94 13.35 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.429 -1.323 . . . . 25.0 107.429 175.388 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -92.02 157.48 16.76 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 104.267 -2.494 . . . . 25.0 104.267 177.212 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 59.39 18.0 41.67 Favored Glycine 0 C--O 1.22 -0.741 0 CA-C-O 121.811 0.673 . . . . 25.0 113.782 178.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -67.09 133.6 50.18 Favored 'General case' 0 N--CA 1.444 -0.733 0 O-C-N 122.353 -0.498 . . . . 25.0 111.765 -174.307 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -73.19 72.8 1.24 Allowed 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 123.161 0.584 . . . . 25.0 111.083 176.267 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -65.61 -25.14 67.25 Favored 'General case' 0 C--O 1.219 -0.503 0 N-CA-C 109.728 -0.471 . . . . 25.0 109.728 177.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.78 -25.84 67.72 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.247 -0.433 . . . . 25.0 111.676 177.031 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 42.9 p -127.26 36.61 4.39 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 109.823 -0.436 . . . . 25.0 109.823 178.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.8 pp -58.91 159.69 6.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.902 0.858 . . . . 25.0 112.195 -177.229 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 41.3 t -148.19 144.59 27.83 Favored 'General case' 0 CA--C 1.508 -0.659 0 N-CA-C 107.106 -1.442 . . . . 25.0 107.106 173.408 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -84.12 -15.86 45.73 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.308 0.575 . . . . 25.0 109.481 178.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -84.06 10.19 61.35 Favored Glycine 0 CA--C 1.52 0.39 0 N-CA-C 116.187 1.235 . . . . 25.0 116.187 -175.621 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -67.01 -22.6 65.89 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 118.406 1.103 . . . . 25.0 112.29 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 1.3 pp -79.11 159.19 4.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.394 0.616 . . . . 25.0 111.164 179.43 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 7.0 p -56.86 -25.14 21.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 N-CA-C 114.366 1.247 . . . . 25.0 114.366 -178.125 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -71.58 -22.2 61.77 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 121.81 -0.556 . . . . 25.0 111.972 -177.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . 52.71 -151.25 0.31 Allowed 'General case' 0 N--CA 1.466 0.333 0 O-C-N 123.642 0.589 . . . . 25.0 111.356 178.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . 57.92 17.82 4.58 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 115.008 1.485 . . . . 25.0 115.008 176.186 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -120.73 110.51 16.46 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.645 0.735 . . . . 25.0 111.147 -178.612 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 10.3 t -69.85 150.51 96.47 Favored Pre-proline 0 CA--C 1.539 0.552 0 CA-C-N 115.245 -0.889 . . . . 25.0 110.622 -179.042 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -71.27 170.35 18.51 Favored 'Trans proline' 0 C--N 1.352 0.721 0 C-N-CA 117.817 -0.989 . . . . 25.0 111.13 171.314 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.307 0 N-CA-C 105.703 -2.959 . . . . 25.0 105.703 178.369 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 206' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.694 0 CA-C-O 118.48 -0.772 . . . . 25.0 109.619 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 66.24 155.67 0.09 Allowed 'General case' 0 N--CA 1.477 0.906 0 O-C-N 125.031 1.457 . . . . 25.0 111.223 -174.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -95.71 165.68 24.71 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 121.069 -0.586 . . . . 25.0 113.09 -177.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.459 HG23 ' H ' ' A' ' 6' ' ' GLY . 5.8 t -98.46 -175.03 2.98 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 104.628 -2.36 . . . . 25.0 104.628 173.634 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -84.89 2.63 41.78 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 121.075 -1.015 . . . . 25.0 112.492 -178.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.459 ' H ' HG23 ' A' ' 4' ' ' THR . . . -84.8 -172.19 48.89 Favored Glycine 0 CA--C 1.52 0.383 0 N-CA-C 108.97 -1.652 . . . . 25.0 108.97 170.169 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 38.7 m-20 -83.6 131.24 34.98 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 118.327 1.064 . . . . 25.0 108.407 178.128 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -127.72 158.72 36.87 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-O 120.985 0.421 . . . . 50.0 112.056 -177.209 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 84.8 t -123.93 115.93 46.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 104.787 -2.301 . . . . 25.0 104.787 168.296 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 66.7 mt -118.38 135.87 54.08 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.274 -1.009 . . . . 25.0 108.274 -176.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 71.1 mt -133.32 129.46 56.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 N-CA-C 108.275 -1.009 . . . . 25.0 108.275 -177.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -92.22 170.49 32.96 Favored Glycine 0 C--O 1.228 -0.265 0 CA-C-O 121.617 0.565 . . . . 25.0 114.175 -178.678 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.9 t -99.03 -175.46 3.04 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 123.468 0.707 . . . . 25.0 109.692 178.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -69.77 -25.91 64.03 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 113.22 0.822 . . . . 25.0 113.22 -177.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 32.9 m -72.6 163.9 3.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 110.103 -0.332 . . . . 25.0 110.103 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.49 136.75 22.59 Favored Glycine 0 CA--C 1.516 0.121 0 N-CA-C 110.555 -1.018 . . . . 25.0 110.555 177.314 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -141.16 164.88 29.07 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.405 0.622 . . . . 50.0 112.644 -173.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -121.49 118.22 28.79 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 105.663 -1.977 . . . . 25.0 105.663 173.102 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 57.0 mt -127.1 123.91 63.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 109.832 -0.433 . . . . 25.0 109.832 -172.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 62.8 p -118.4 135.82 54.12 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.005 0.431 . . . . 25.0 110.215 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -91.37 -24.74 25.63 Favored Glycine 0 CA--C 1.517 0.186 0 N-CA-C 115.369 0.908 . . . . 25.0 115.369 -176.191 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 73.94 -162.73 54.45 Favored Glycine 0 C--O 1.244 0.725 0 CA-C-N 117.729 0.764 . . . . 25.0 111.411 -176.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.4 179.35 3.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 117.857 0.828 . . . . 25.0 109.53 177.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.5 165.66 37.11 Favored Glycine 0 C--O 1.238 0.381 0 N-CA-C 112.042 -0.423 . . . . 25.0 112.042 -178.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -87.02 112.18 21.6 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 107.196 -1.409 . . . . 25.0 107.196 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -118.3 166.53 12.51 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 113.682 0.993 . . . . 50.0 113.682 -171.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.5 ttm180 -123.66 128.71 50.05 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 104.813 -2.292 . . . . 25.0 104.813 168.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.0 mp -121.79 140.84 51.85 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 104.922 -2.251 . . . . 25.0 104.922 177.344 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.449 ' HA ' ' HB ' ' A' ' 47' ' ' THR . 59.5 t0 -134.14 133.73 41.36 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 104.46 -2.422 . . . . 25.0 104.46 174.078 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -95.73 -21.04 24.86 Favored Glycine 0 N--CA 1.447 -0.581 0 N-CA-C 111.625 -0.59 . . . . 25.0 111.625 -178.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 66.81 -156.36 51.61 Favored Glycine 0 C--O 1.243 0.694 0 N-CA-C 111.038 -0.825 . . . . 25.0 111.038 -175.621 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.17 173.61 9.18 Favored 'General case' 0 C--O 1.243 0.757 0 O-C-N 122.037 -0.684 . . . . 25.0 110.049 178.19 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 81.74 167.23 38.7 Favored Glycine 0 CA--C 1.51 -0.258 0 CA-C-N 115.844 -0.617 . . . . 25.0 111.712 -178.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -85.25 128.16 34.58 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 107.201 -1.407 . . . . 25.0 107.201 -178.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -132.58 153.32 51.12 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 114.026 1.121 . . . . 50.0 114.026 -171.407 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.2 mp -111.59 122.19 47.16 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 106.868 -1.53 . . . . 25.0 106.868 175.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.3 mp -124.08 124.3 42.22 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.106 0.41 . . . . 25.0 112.106 -177.566 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -113.02 119.87 39.39 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 116.218 -0.446 . . . . 25.0 110.021 178.459 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -74.5 -46.54 19.16 Favored Glycine 0 C--O 1.247 0.908 0 N-CA-C 115.733 1.053 . . . . 25.0 115.733 -176.326 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.2 -176.2 54.79 Favored Glycine 0 C--O 1.239 0.451 0 O-C-N 122.017 -0.696 . . . . 25.0 111.898 -177.003 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.85 155.37 16.46 Favored 'General case' 0 C--O 1.241 0.652 0 O-C-N 121.93 -0.747 . . . . 25.0 109.877 179.524 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.94 166.94 41.89 Favored Glycine 0 C--O 1.242 0.601 0 N-CA-C 110.806 -0.918 . . . . 25.0 110.806 -177.141 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.5 ptt180 -90.92 126.79 36.16 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 106.838 -1.542 . . . . 25.0 106.838 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -123.27 160.05 27.47 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-O 121.128 0.489 . . . . 50.0 111.411 -171.535 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -116.04 108.03 15.7 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 105.798 -1.927 . . . . 25.0 105.798 176.085 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.3 mt -103.48 97.97 7.93 Favored 'General case' 0 C--N 1.32 -0.678 0 O-C-N 123.746 0.654 . . . . 25.0 110.212 -173.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.449 ' HB ' ' HA ' ' A' ' 29' ' ' ASP . 7.9 m -92.48 114.48 27.04 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 108.481 -0.933 . . . . 25.0 108.481 -179.284 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -83.45 -38.71 10.5 Favored Glycine 0 C--O 1.24 0.475 0 C-N-CA 119.836 -1.173 . . . . 25.0 112.333 -177.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 72.63 -164.3 54.71 Favored Glycine 0 C--O 1.24 0.509 0 N-CA-C 110.939 -0.864 . . . . 25.0 110.939 -177.405 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.0 mt -65.9 156.72 32.6 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.113 0.482 . . . . 25.0 110.618 178.109 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.96 165.56 32.79 Favored Glycine 0 C--O 1.242 0.605 0 N-CA-C 110.627 -0.989 . . . . 25.0 110.627 -178.235 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.88 112.41 21.12 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 106.538 -1.653 . . . . 25.0 106.538 179.019 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -112.49 152.54 28.65 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.292 -0.413 . . . . 50.0 109.904 -174.308 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.2 t -125.99 136.17 52.68 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 108.904 -0.776 . . . . 25.0 108.904 174.171 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -112.36 125.78 54.56 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 106.417 -1.698 . . . . 25.0 106.417 -177.019 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 42.7 ttt-85 -121.16 148.84 43.68 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.533 0.682 . . . . 25.0 112.126 -171.506 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 52.2 p90 -76.24 146.95 38.66 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.074 -1.084 . . . . 25.0 108.074 171.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -119.85 -4.03 10.2 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.081 -0.711 . . . . 25.0 109.081 172.086 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.442 ' HG ' ' H ' ' A' ' 61' ' ' GLU . 26.4 tp -154.99 158.38 39.09 Favored 'General case' 0 C--O 1.221 -0.413 0 N-CA-C 108.726 -0.842 . . . . 25.0 108.726 -177.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 32.2 ptt85 -66.06 -26.13 67.35 Favored 'General case' 0 C--O 1.211 -0.922 0 O-C-N 122.029 -0.42 . . . . 25.0 110.319 174.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.442 ' H ' ' HG ' ' A' ' 59' ' ' LEU . 49.7 mt-10 -101.86 16.17 26.75 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.675 0.75 . . . . 25.0 111.802 -175.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -58.69 -30.9 67.74 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.67 -0.695 . . . . 25.0 111.638 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 45.4 m -127.33 48.88 2.16 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.369 0.668 . . . . 25.0 111.811 -178.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 15.3 t-160 -101.75 142.86 32.43 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 113.642 0.978 . . . . 25.0 113.642 -169.46 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -129.22 131.93 47.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.388 0.613 . . . . 25.0 109.419 170.492 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 91.2 p -121.03 166.33 16.17 Favored Pre-proline 0 C--N 1.319 -0.76 0 N-CA-C 106.058 -1.83 . . . . 25.0 106.058 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -71.23 -4.63 15.32 Favored 'Trans proline' 0 CA--C 1.533 0.474 0 C-N-CA 115.572 -2.485 . . . . 25.0 113.071 176.507 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 68.6 mt -102.58 -4.6 24.99 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 111.763 0.283 . . . . 25.0 111.763 -178.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 165.7 158.27 10.63 Favored Glycine 0 N--CA 1.458 0.133 0 C-N-CA 120.521 -0.847 . . . . 25.0 114.231 -178.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.4 t -112.75 134.13 54.42 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.454 0.645 . . . . 25.0 111.451 -179.207 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -128.34 15.45 6.65 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.234 -0.894 . . . . 25.0 108.697 -178.329 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 67.2 p -71.55 146.33 48.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.669 -0.696 . . . . 25.0 110.532 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -93.58 156.41 16.74 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 113.502 0.927 . . . . 50.0 113.502 -177.015 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.2 mp -117.47 131.55 56.71 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 105.552 -2.018 . . . . 25.0 105.552 175.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 31.0 mt -105.59 142.37 18.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 106.119 -1.808 . . . . 25.0 106.119 177.487 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -126.31 151.54 47.39 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 108.032 -1.099 . . . . 25.0 108.032 -174.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 54.73 44.6 28.27 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 122.243 1.02 . . . . 25.0 109.849 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -83.97 127.86 34.16 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.602 -1.181 . . . . 25.0 111.478 -178.173 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -102.56 101.09 18.19 Favored Pre-proline 0 C--N 1.322 -0.598 0 N-CA-C 108.372 -0.973 . . . . 25.0 108.372 178.032 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -69.01 -4.58 13.81 Favored 'Trans proline' 0 C--N 1.343 0.267 0 N-CA-C 115.16 1.177 . . . . 25.0 115.16 -178.199 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.7 t -98.74 -3.78 34.98 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 111.823 0.305 . . . . 25.0 111.823 176.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 44.8 mm-40 -140.91 -38.74 0.42 Allowed 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 114.792 1.404 . . . . 25.0 114.792 -173.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -81.41 158.84 24.47 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.864 0.364 . . . . 50.0 111.747 -172.502 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 27.6 tptt -132.91 152.98 51.81 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 111.877 0.325 . . . . 25.0 111.877 -178.102 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 20.8 mt -130.71 120.48 48.06 Favored 'Isoleucine or valine' 0 C--O 1.239 0.54 0 CA-C-O 120.853 0.358 . . . . 25.0 111.007 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.0 119.28 35.18 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.311 -0.626 . . . . 25.0 109.311 176.203 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.7 m -130.18 25.31 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 CA-C-O 122.225 1.012 . . . . 25.0 109.353 179.281 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.31 -13.52 19.79 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 115.323 1.601 . . . . 25.0 115.323 -174.307 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.96 -18.23 61.39 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 112.936 0.717 . . . . 25.0 112.936 178.273 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 24.2 mt -86.83 -53.27 5.01 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 107.182 -1.414 . . . . 25.0 107.182 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 81.44 161.59 27.61 Favored Glycine 0 C--O 1.224 -0.473 0 N-CA-C 109.238 -1.545 . . . . 25.0 109.238 -176.545 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -139.42 134.5 32.48 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 107.631 -1.248 . . . . 25.0 107.631 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 10.6 tp -106.58 -7.95 10.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.681 0.753 . . . . 25.0 111.171 -174.318 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -142.03 165.53 26.57 Favored Glycine 0 C--O 1.227 -0.315 0 C-N-CA 120.933 -0.651 . . . . 25.0 112.299 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 73.2 mt -63.48 -26.13 68.58 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 116.091 1.885 . . . . 25.0 116.091 -171.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 140.32 79.85 0.06 OUTLIER Glycine 0 C--O 1.226 -0.393 0 N-CA-C 117.864 1.905 . . . . 25.0 117.864 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -108.93 -11.19 15.02 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 116.968 0.384 . . . . 25.0 110.221 175.645 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 83.84 1.88 89.8 Favored Glycine 0 N--CA 1.461 0.336 0 N-CA-C 114.349 0.5 . . . . 25.0 114.349 -177.058 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.486 ' HA ' ' HB3' ' A' ' 119' ' ' TYR . 87.6 m-85 -139.77 152.83 46.9 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.786 -0.45 . . . . 25.0 109.786 -179.127 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 58.54 48.61 11.69 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 113.844 1.053 . . . . 25.0 113.844 176.088 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 76.34 31.55 54.38 Favored Glycine 0 CA--C 1.51 -0.248 0 C-N-CA 120.761 -0.733 . . . . 25.0 111.802 174.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 27.9 p -134.8 149.51 50.4 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 105.667 -1.975 . . . . 25.0 105.667 178.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.3 mt -94.97 150.24 20.38 Favored 'General case' 0 C--O 1.217 -0.629 0 N-CA-C 116.203 1.927 . . . . 25.0 116.203 -169.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -145.17 160.32 41.62 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 107.328 -1.36 . . . . 25.0 107.328 168.369 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 11.6 p -125.68 152.03 32.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 107.11 -1.441 . . . . 25.0 107.11 178.34 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 46.9 m -145.13 161.66 38.94 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 107.989 -1.115 . . . . 25.0 107.989 178.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 72.3 mt -127.85 162.05 27.59 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.82 -1.178 . . . . 25.0 107.82 178.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 83.9 p -77.02 171.35 14.94 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 106.398 -1.704 . . . . 25.0 106.398 170.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.24 -28.92 63.36 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 113.003 0.742 . . . . 25.0 113.003 -178.412 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -103.95 2.33 32.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.525 0.678 . . . . 25.0 110.467 -174.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 73.8 -1.48 45.96 Favored Glycine 0 C--O 1.222 -0.636 0 CA-C-N 115.671 -0.695 . . . . 25.0 113.452 -175.615 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 93.1 mt -70.78 -13.27 61.99 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 114.395 1.258 . . . . 25.0 114.395 -174.065 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 58.9 mtt85 -135.7 154.05 51.4 Favored 'General case' 0 CA--C 1.503 -0.859 0 N-CA-C 107.92 -1.141 . . . . 25.0 107.92 176.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 13.1 m -131.92 150.12 52.24 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 106.88 -1.526 . . . . 25.0 106.88 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -136.25 149.05 48.32 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.485 -0.932 . . . . 25.0 108.485 -178.255 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 49.4 mt -130.41 138.94 50.59 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.506 -1.294 . . . . 25.0 107.506 178.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 35.6 tttt -140.6 134.3 30.3 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 113.632 0.975 . . . . 25.0 113.632 -177.593 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 28.3 t -111.68 -36.91 5.33 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 123.794 0.684 . . . . 25.0 111.452 176.373 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.486 ' HB3' ' HA ' ' A' ' 99' ' ' TYR . 30.2 t80 47.66 63.58 1.95 Allowed 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.523 0.729 . . . . 25.0 112.63 179.369 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -61.41 136.09 57.92 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.64 -0.709 . . . . 25.0 111.684 -174.348 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -136.15 15.26 3.27 Favored 'General case' 0 C--O 1.22 -0.488 0 CA-C-O 122.185 0.993 . . . . 25.0 109.764 -179.075 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -61.45 -36.12 79.51 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 113.945 -1.48 . . . . 25.0 112.406 -174.297 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -156.78 -45.67 0.07 Allowed 'General case' 0 C--O 1.221 -0.422 0 N-CA-C 112.541 0.571 . . . . 25.0 112.541 178.49 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -92.38 -16.0 26.53 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 114.901 1.445 . . . . 25.0 114.901 -173.474 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 58.39 60.58 8.67 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 120.599 -0.81 . . . . 25.0 111.909 -178.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 89.3 mmt-85 -132.28 142.38 49.36 Favored 'General case' 0 CA--C 1.504 -0.813 0 N-CA-C 107.505 -1.295 . . . . 25.0 107.505 -177.521 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.456 ' HA ' ' HA ' ' A' ' 119' ' ' TYR . 9.3 t -86.52 145.85 26.62 Favored 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 119.704 -0.798 . . . . 25.0 109.045 -177.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -131.99 123.22 26.9 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 105.061 -2.2 . . . . 25.0 105.061 175.137 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -146.26 153.48 40.63 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.669 -1.15 . . . . 25.0 110.352 -168.248 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 5.3 mp -137.23 165.12 26.9 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 107.489 -1.3 . . . . 25.0 107.489 177.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -143.3 154.58 43.93 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.774 0.321 . . . . 25.0 110.292 176.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 40.4 mt -125.28 131.86 53.01 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 105.226 -2.139 . . . . 25.0 105.226 175.052 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -114.65 135.17 54.45 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 106.425 -1.694 . . . . 25.0 106.425 177.446 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 76.31 19.63 78.08 Favored Glycine 0 C--O 1.224 -0.479 0 C-N-CA 120.576 -0.821 . . . . 25.0 112.041 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -64.67 140.99 58.92 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 122.449 -0.442 . . . . 25.0 110.633 -179.4 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -76.16 78.02 2.98 Favored 'General case' 0 C--O 1.219 -0.549 0 N-CA-C 109.632 -0.507 . . . . 25.0 109.632 174.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -60.8 -29.08 69.23 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.23 0.538 . . . . 25.0 110.094 177.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -62.09 -27.07 68.66 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 115.716 -0.675 . . . . 25.0 111.981 177.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 76.6 p -125.09 28.61 6.34 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 111.97 0.359 . . . . 25.0 111.97 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.7 pp -63.37 154.38 32.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.554 0.692 . . . . 25.0 111.442 -177.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 47.5 t -146.19 153.5 40.7 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.285 -1.005 . . . . 25.0 108.285 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -82.8 11.95 5.37 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 112.702 0.631 . . . . 25.0 112.702 -178.367 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -103.79 10.16 52.33 Favored Glycine 0 C--O 1.221 -0.66 0 N-CA-C 115.771 1.068 . . . . 25.0 115.771 -176.376 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -61.34 -42.91 99.47 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 113.775 1.028 . . . . 25.0 113.775 -174.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 98.7 mt -80.71 148.69 5.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 107.422 -1.325 . . . . 25.0 107.422 -175.054 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 9.9 p -51.4 -33.97 14.8 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 N-CA-C 114.358 1.244 . . . . 25.0 114.358 -178.099 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -72.15 -28.61 63.35 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.888 0.329 . . . . 25.0 111.888 178.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . 55.78 -167.26 0.1 Allowed 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 114.238 1.199 . . . . 25.0 114.238 178.303 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . 53.74 25.92 5.51 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 116.045 1.868 . . . . 25.0 116.045 176.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -80.92 45.92 0.86 Allowed 'General case' 0 CA--C 1.545 0.775 0 CA-C-O 121.161 0.505 . . . . 25.0 111.294 178.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 12.5 t -72.75 145.15 86.62 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 116.037 -0.529 . . . . 25.0 111.588 -174.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -73.48 170.21 20.47 Favored 'Trans proline' 0 C--O 1.241 0.665 0 C-N-CA 116.588 -1.808 . . . . 25.0 109.997 169.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 117.676 -1.624 . . . . 25.0 109.051 174.889 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 206' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.846 0 N-CA-C 110.046 -0.353 . . . . 25.0 110.046 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -122.62 153.41 39.36 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 107.008 -1.478 . . . . 25.0 107.008 177.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -95.16 -179.1 37.2 Favored Glycine 0 N--CA 1.45 -0.377 0 CA-C-O 121.663 0.591 . . . . 25.0 113.019 -177.266 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 81.0 p -109.34 -177.16 3.22 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 105.605 -1.998 . . . . 25.0 105.605 176.424 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -87.87 6.1 37.14 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.854 0.835 . . . . 25.0 111.147 175.333 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -89.49 -165.24 40.83 Favored Glycine 0 CA--C 1.517 0.188 0 N-CA-C 108.685 -1.766 . . . . 25.0 108.685 171.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -90.2 125.94 35.65 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.342 -0.984 . . . . 25.0 108.342 178.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -123.52 154.06 39.71 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 121.155 0.502 . . . . 50.0 111.752 -177.184 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 92.2 t -126.52 111.05 24.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 104.427 -2.434 . . . . 25.0 104.427 169.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 85.3 mt -120.5 137.33 54.42 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.829 -0.169 . . . . 25.0 110.673 -175.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.424 ' HA ' ' HB2' ' A' ' 29' ' ' ASP . 80.1 mt -125.76 127.1 71.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 108.274 -1.01 . . . . 25.0 108.274 179.341 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -85.67 167.63 40.82 Favored Glycine 0 N--CA 1.452 -0.296 0 CA-C-O 121.652 0.585 . . . . 25.0 113.965 -178.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.1 t -94.96 -178.07 4.37 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 123.703 0.801 . . . . 25.0 110.125 179.126 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -74.16 -20.45 60.22 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 113.244 0.831 . . . . 25.0 113.244 -178.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.6 m -74.42 164.38 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 109.516 -0.55 . . . . 25.0 109.516 177.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.91 138.8 27.52 Favored Glycine 0 CA--C 1.518 0.221 0 N-CA-C 110.279 -1.128 . . . . 25.0 110.279 177.627 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -144.48 166.48 25.02 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 117.528 0.664 . . . . 50.0 112.558 -174.346 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -118.14 122.38 42.92 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 104.937 -2.246 . . . . 25.0 104.937 169.137 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 33.5 mm -118.38 130.52 73.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 106.97 -1.493 . . . . 25.0 106.97 -175.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 80.6 p -125.74 139.17 53.75 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 121.906 -0.496 . . . . 25.0 110.562 179.268 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -92.19 -35.08 6.81 Favored Glycine 0 C--O 1.227 -0.292 0 C-N-CA 121.087 -0.577 . . . . 25.0 113.82 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 71.42 -159.96 53.95 Favored Glycine 0 C--O 1.245 0.8 0 N-CA-C 110.378 -1.089 . . . . 25.0 110.378 -176.162 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.01 178.79 3.56 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 118.3 1.05 . . . . 25.0 108.584 175.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.12 167.03 37.21 Favored Glycine 0 C--O 1.243 0.71 0 C-N-CA 120.846 -0.692 . . . . 25.0 112.728 -179.017 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -92.48 110.88 22.3 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.366 -0.605 . . . . 25.0 109.366 -175.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -120.05 162.01 19.99 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 114.621 1.341 . . . . 50.0 114.621 -169.223 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 20.0 ttt85 -124.91 129.99 51.49 Favored 'General case' 0 CA--C 1.51 -0.586 0 N-CA-C 104.732 -2.321 . . . . 25.0 104.732 167.395 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 61.0 mt -125.66 133.81 52.06 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.062 -1.088 . . . . 25.0 108.062 -178.267 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.424 ' HB2' ' HA ' ' A' ' 11' ' ' ILE . 5.7 m-20 -121.67 138.34 54.38 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 105.855 -1.906 . . . . 25.0 105.855 173.291 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -96.57 -26.31 10.96 Favored Glycine 0 C--N 1.32 -0.325 0 C-N-CA 121.472 -0.394 . . . . 25.0 112.598 -179.223 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 72.23 -160.38 54.03 Favored Glycine 0 C--O 1.245 0.785 0 N-CA-C 110.827 -0.909 . . . . 25.0 110.827 -176.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.5 175.38 7.09 Favored 'General case' 0 C--O 1.245 0.851 0 O-C-N 122.239 -0.565 . . . . 25.0 109.707 178.037 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.33 167.92 34.8 Favored Glycine 0 C--O 1.241 0.541 0 N-CA-C 110.565 -1.014 . . . . 25.0 110.565 -177.355 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -82.58 136.19 34.88 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 106.934 -1.506 . . . . 25.0 106.934 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -137.55 150.5 47.53 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 113.644 0.979 . . . . 50.0 113.644 -173.463 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.2 mp -109.15 130.49 55.48 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 105.453 -2.055 . . . . 25.0 105.453 175.134 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.7 mp -131.44 111.33 11.71 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 112.613 0.597 . . . . 25.0 112.613 -177.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -97.64 127.38 43.55 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 122.462 0.305 . . . . 25.0 111.322 179.338 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -81.94 -55.81 3.05 Favored Glycine 0 C--O 1.251 1.162 0 N-CA-C 116.24 1.256 . . . . 25.0 116.24 -177.14 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.24 -173.68 55.27 Favored Glycine 0 C--O 1.24 0.517 0 O-C-N 122.25 -0.559 . . . . 25.0 112.241 -177.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.68 162.99 12.17 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 122.288 -0.536 . . . . 25.0 110.682 178.143 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 85.13 168.11 44.22 Favored Glycine 0 N--CA 1.463 0.468 0 N-CA-C 110.871 -0.891 . . . . 25.0 110.871 -177.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.0 ptp85 -85.8 127.61 34.6 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 118.345 1.072 . . . . 25.0 108.703 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -122.68 148.72 44.96 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 116.143 -0.48 . . . . 50.0 110.715 -173.126 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? -124.31 103.35 8.17 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 106.119 -1.808 . . . . 25.0 106.119 -178.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.9 mp -108.23 117.19 33.49 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.502 -0.317 . . . . 25.0 111.603 -169.513 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.7 m -108.71 115.91 30.98 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 122.568 0.347 . . . . 25.0 110.423 -178.539 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -80.59 -42.03 10.56 Favored Glycine 0 C--O 1.244 0.738 0 C-N-CA 120.01 -1.09 . . . . 25.0 114.326 -176.395 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 72.71 -163.6 54.8 Favored Glycine 0 CA--C 1.52 0.361 0 N-CA-C 111.119 -0.792 . . . . 25.0 111.119 -177.475 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 95.5 mt -64.87 158.0 26.37 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-O 121.004 0.43 . . . . 25.0 111.003 178.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 92.22 167.98 40.09 Favored Glycine 0 C--O 1.246 0.893 0 N-CA-C 110.413 -1.075 . . . . 25.0 110.413 -177.535 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -84.6 123.41 30.29 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 106.51 -1.663 . . . . 25.0 106.51 178.331 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -121.08 150.02 41.84 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.373 -0.603 . . . . 50.0 109.373 -175.268 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.7 t -126.25 129.46 48.97 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.741 -0.837 . . . . 25.0 108.741 174.287 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -107.2 130.86 54.67 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 105.98 -1.859 . . . . 25.0 105.98 -176.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 52.2 ttt180 -127.3 140.03 52.49 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 113.935 1.087 . . . . 25.0 113.935 -169.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -90.26 150.63 21.87 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 114.743 -1.117 . . . . 25.0 108.84 176.133 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -101.73 -44.57 5.51 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.45 -0.574 . . . . 25.0 109.45 177.396 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 41.0 tp -140.42 158.69 43.62 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 105.987 -1.856 . . . . 25.0 105.987 178.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 39.9 ptt180 -61.17 -20.84 63.2 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-O 121.346 0.593 . . . . 25.0 111.776 179.342 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -83.27 3.73 30.04 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.826 -0.625 . . . . 25.0 111.163 -178.033 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -61.38 -32.09 72.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.448 -0.342 . . . . 25.0 110.09 175.521 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.7 p -131.55 93.58 3.36 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.492 0.663 . . . . 25.0 109.44 -177.578 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 49.4 t-80 -138.01 153.4 49.4 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.752 -0.658 . . . . 25.0 109.691 -173.024 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 -132.73 153.56 51.05 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 108.955 -0.757 . . . . 25.0 108.955 175.126 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 89.1 p -151.08 166.63 14.67 Favored Pre-proline 0 C--N 1.322 -0.599 0 N-CA-C 106.723 -1.584 . . . . 25.0 106.723 -176.607 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -70.01 -11.32 30.28 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 115.946 -2.236 . . . . 25.0 112.975 176.143 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 83.1 mt -88.54 -3.02 58.9 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 122.304 0.242 . . . . 25.0 111.496 179.243 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 144.72 172.25 15.11 Favored Glycine 0 C--O 1.235 0.203 0 C-N-CA 120.754 -0.736 . . . . 25.0 114.073 179.371 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.8 t -107.2 141.24 38.8 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.289 0.566 . . . . 25.0 111.014 -178.405 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -128.59 16.95 6.43 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 106.039 -1.837 . . . . 25.0 106.039 177.214 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 46.4 t -66.33 145.91 55.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.498 -1.228 . . . . 25.0 109.64 -178.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -98.74 148.75 23.55 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.337 -0.392 . . . . 50.0 111.593 -178.291 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.6 mp -118.11 131.21 56.44 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 106.946 -1.501 . . . . 25.0 106.946 177.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 52.8 mt -106.63 142.23 19.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 N-CA-C 102.839 -3.023 . . . . 25.0 102.839 169.386 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 40.5 mt -122.48 141.05 52.05 Favored 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 108.812 -0.81 . . . . 25.0 108.812 -172.389 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 54.68 47.78 21.76 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 122.284 1.04 . . . . 25.0 111.618 174.42 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -79.42 133.8 36.55 Favored 'General case' 0 C--O 1.241 0.635 0 CA-C-N 114.736 -1.12 . . . . 25.0 111.46 -177.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -98.43 103.11 16.65 Favored Pre-proline 0 N--CA 1.467 0.419 0 CA-C-N 116.183 -0.462 . . . . 25.0 110.066 177.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -73.17 8.27 1.82 Allowed 'Trans proline' 0 CA--C 1.536 0.585 0 N-CA-C 115.004 1.117 . . . . 25.0 115.004 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 19.9 t -107.76 -7.71 16.27 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 115.864 -0.607 . . . . 25.0 110.451 177.384 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 25.4 mm-40 -141.39 -33.86 0.5 Allowed 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 114.538 1.311 . . . . 25.0 114.538 -174.151 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -91.71 157.49 16.9 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.289 0.566 . . . . 50.0 112.091 -170.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -135.18 154.61 51.56 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.899 -0.591 . . . . 25.0 110.218 -175.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 42.7 mt -121.64 117.33 52.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 107.769 -1.197 . . . . 25.0 107.769 176.318 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -86.14 111.76 20.67 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.062 -0.718 . . . . 25.0 109.062 -179.583 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 23.8 m -132.51 160.1 42.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 108.517 -0.92 . . . . 25.0 108.517 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 48.4 t -156.87 -73.41 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.833 0.309 . . . . 25.0 111.833 178.093 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -76.87 41.48 0.28 Allowed 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 115.174 1.546 . . . . 25.0 115.174 -174.032 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 15.6 mt -105.72 -41.98 5.3 Favored 'General case' 0 C--O 1.218 -0.563 0 N-CA-C 106.895 -1.521 . . . . 25.0 106.895 176.117 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 61.42 31.52 77.72 Favored Glycine 0 C--O 1.224 -0.517 0 N-CA-C 116.752 1.461 . . . . 25.0 116.752 172.681 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -61.42 126.28 26.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 118.331 1.066 . . . . 25.0 110.315 -178.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 12.3 tt -87.75 -7.14 10.89 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 CA-C-N 115.545 -0.752 . . . . 25.0 112.918 -171.417 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -175.42 -177.96 44.89 Favored Glycine 0 C--O 1.226 -0.386 0 C-N-CA 119.95 -1.119 . . . . 25.0 113.643 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 85.0 mt -119.0 11.87 12.6 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.139 0.576 . . . . 25.0 112.402 -176.171 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -68.16 -91.58 0.06 OUTLIER Glycine 0 CA--C 1.526 0.731 0 N-CA-C 119.179 2.432 . . . . 25.0 119.179 -173.305 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -103.92 -1.85 27.05 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 115.753 1.76 . . . . 25.0 115.753 -165.409 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 77.66 16.27 80.36 Favored Glycine 0 C--N 1.321 -0.268 0 C-N-CA 119.969 -1.11 . . . . 25.0 113.097 -177.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -137.82 166.5 23.85 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.186 -1.042 . . . . 25.0 108.186 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 53.26 42.16 32.11 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.247 0.619 . . . . 25.0 111.88 178.328 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 80.63 3.46 90.21 Favored Glycine 0 C--O 1.225 -0.431 0 C-N-CA 120.966 -0.635 . . . . 25.0 114.654 177.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 63.4 p -100.02 158.83 15.55 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 118.388 1.094 . . . . 25.0 109.072 178.065 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 14.2 mt -94.54 171.49 8.77 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 123.534 0.734 . . . . 25.0 109.309 177.673 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -149.03 153.31 37.69 Favored 'General case' 0 C--O 1.24 0.596 0 N-CA-C 101.158 -3.645 . . . . 25.0 101.158 170.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 9.0 p -140.05 153.92 22.97 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 N-CA-C 113.189 0.811 . . . . 25.0 113.189 -173.057 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 50.1 m -138.43 148.36 44.34 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 102.196 -3.261 . . . . 25.0 102.196 171.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.433 ' HA ' ' HA ' ' A' ' 114' ' ' THR . 1.7 mp -134.94 150.4 50.38 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 114.738 1.384 . . . . 25.0 114.738 -171.556 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.7 t -66.47 39.12 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 115.659 1.726 . . . . 25.0 115.659 171.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -70.04 -27.66 64.84 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.184 -1.043 . . . . 25.0 108.184 178.098 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 52.0 p-10 -102.8 10.86 38.22 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.437 -1.256 . . . . 25.0 109.964 177.538 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 83.02 -1.54 88.5 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 115.434 0.934 . . . . 25.0 115.434 -179.47 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 78.1 mt -93.42 21.35 6.23 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 117.434 2.383 . . . . 25.0 117.434 -172.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 64.9 mtt85 88.04 153.18 0.06 Allowed 'General case' 0 N--CA 1.499 1.977 0 C-N-CA 125.892 1.677 . . . . 25.0 110.515 169.133 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.433 ' HA ' ' HA ' ' A' ' 107' ' ' LEU . 29.1 m -99.95 138.71 36.66 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 107.027 -1.472 . . . . 25.0 107.027 -178.075 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -132.31 141.13 48.84 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 108.01 -1.107 . . . . 25.0 108.01 178.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 5.1 mp -126.41 129.29 48.46 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 106.432 -1.692 . . . . 25.0 106.432 -179.476 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -128.98 133.7 47.88 Favored 'General case' 0 C--N 1.322 -0.605 0 O-C-N 122.931 0.144 . . . . 25.0 110.787 -176.248 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.0 t -143.41 157.13 44.71 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.173 -1.047 . . . . 25.0 108.173 174.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -140.94 128.37 21.21 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 106.44 -1.689 . . . . 25.0 106.44 176.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -121.18 143.04 49.34 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 109.238 -0.652 . . . . 25.0 109.238 -176.135 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -112.19 0.48 15.84 Favored 'General case' 0 CA--C 1.512 -0.481 0 N-CA-C 114.362 1.245 . . . . 25.0 114.362 -178.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -78.77 -33.88 46.09 Favored 'General case' 0 C--N 1.309 -1.181 0 N-CA-C 106.832 -1.544 . . . . 25.0 106.832 177.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -79.22 21.39 0.46 Allowed 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 115.481 -0.781 . . . . 25.0 110.823 171.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 64.22 28.99 14.0 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.278 1.031 . . . . 25.0 112.524 -179.026 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 93.67 80.06 1.46 Allowed Glycine 0 N--CA 1.46 0.294 0 N-CA-C 114.593 0.597 . . . . 25.0 114.593 174.282 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -133.26 147.14 51.93 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 122.433 -0.451 . . . . 25.0 111.408 -178.348 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 47.7 m -98.1 120.92 39.34 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.183 -0.462 . . . . 25.0 109.754 176.688 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -113.36 109.0 18.0 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 106.414 -1.699 . . . . 25.0 106.414 177.397 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -136.05 145.76 46.35 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.094 -0.503 . . . . 25.0 110.676 -169.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.8 mp -136.0 166.99 22.06 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.399 0.68 . . . . 25.0 109.873 -176.187 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -143.29 153.54 42.86 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.673 -0.492 . . . . 25.0 109.673 175.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 13.1 mt -140.72 112.55 7.61 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 108.427 -0.953 . . . . 25.0 108.427 178.555 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -99.75 155.05 17.84 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.186 -0.672 . . . . 25.0 109.186 -175.362 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 60.52 27.11 65.44 Favored Glycine 0 C--O 1.221 -0.665 0 C-N-CA 120.906 -0.664 . . . . 25.0 113.157 174.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -84.7 142.94 29.52 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 122.2 -0.588 . . . . 25.0 110.115 -176.589 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 70.9 m80 -76.55 76.31 3.25 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.386 -0.824 . . . . 25.0 109.915 176.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -64.14 -26.41 68.52 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.062 -0.517 . . . . 25.0 109.72 178.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.65 -26.36 67.96 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.115 -0.493 . . . . 25.0 110.885 176.603 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 71.1 p -125.28 36.62 4.54 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.756 -0.202 . . . . 25.0 110.561 178.45 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.8 pp -60.11 153.71 21.17 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.286 0.565 . . . . 25.0 110.775 -177.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 90.8 p -149.31 159.39 44.31 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.653 -0.869 . . . . 25.0 108.653 -179.272 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -98.62 -6.61 29.53 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 121.206 0.527 . . . . 25.0 110.482 178.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -79.9 0.95 81.18 Favored Glycine 0 C--O 1.221 -0.704 0 CA-C-N 116.162 -0.472 . . . . 25.0 114.156 -176.337 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -71.88 -14.74 62.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.311 0.577 . . . . 25.0 111.436 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 62.8 mt -85.6 131.44 34.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 105.818 -1.919 . . . . 25.0 105.818 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 10.0 p -55.46 -20.9 8.25 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.773 0 N-CA-C 114.677 1.362 . . . . 25.0 114.677 -177.38 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -71.39 -27.0 63.02 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 121.552 -0.717 . . . . 25.0 111.506 178.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . 52.2 -157.07 0.14 Allowed 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.632 0.773 . . . . 25.0 111.716 -178.029 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . 50.84 30.84 5.44 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 115.214 1.561 . . . . 25.0 115.214 176.322 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -64.46 129.93 41.76 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.136 -0.69 . . . . 25.0 109.136 179.183 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 7.5 t -74.96 145.59 81.35 Favored Pre-proline 0 C--O 1.24 0.605 0 N-CA-C 108.967 -0.753 . . . . 25.0 108.967 -178.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -77.09 -175.77 2.83 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 118.718 -0.388 . . . . 25.0 111.55 177.189 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.306 0 N-CA-C 106.108 -2.797 . . . . 25.0 106.108 175.864 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 206' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 118.137 -0.935 . . . . 25.0 109.425 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 26.5 pt20 46.87 -161.79 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.956 0 O-C-N 124.91 1.381 . . . . 25.0 112.029 -174.264 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -84.78 162.43 37.46 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.93 -0.653 . . . . 25.0 113.888 -175.36 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.5 t -137.94 -170.0 2.68 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 106.329 -1.73 . . . . 25.0 106.329 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -69.34 147.29 51.3 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.991 -0.744 . . . . 25.0 108.991 177.401 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 97.26 -174.43 29.79 Favored Glycine 0 CA--C 1.517 0.167 0 N-CA-C 108.587 -1.805 . . . . 25.0 108.587 -172.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 36.4 m-20 -93.45 134.41 35.73 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 118.347 1.074 . . . . 25.0 110.73 -175.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -126.18 154.21 43.56 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.024 0.44 . . . . 50.0 111.196 -179.263 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 96.9 t -124.93 113.53 36.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 104.758 -2.312 . . . . 25.0 104.758 170.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 43.1 mt -121.38 133.16 55.09 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.817 -0.809 . . . . 25.0 108.817 -173.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.424 ' HA ' ' HB3' ' A' ' 29' ' ' ASP . 77.5 mt -132.7 127.0 55.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 107.748 -1.204 . . . . 25.0 107.748 179.465 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -89.15 -174.98 46.56 Favored Glycine 0 N--CA 1.452 -0.265 0 CA-C-O 121.836 0.687 . . . . 25.0 113.675 -178.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 88.0 p -116.67 -177.02 3.09 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 123.593 0.757 . . . . 25.0 109.35 -178.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -72.31 -14.22 61.69 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 115.618 1.71 . . . . 25.0 115.618 -175.024 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.8 m -83.06 166.96 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 N-CA-C 109.197 -0.668 . . . . 25.0 109.197 177.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.62 135.72 22.32 Favored Glycine 0 CA--C 1.515 0.078 0 N-CA-C 110.893 -0.883 . . . . 25.0 110.893 178.372 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -141.61 161.74 37.2 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.232 0.539 . . . . 50.0 112.1 -173.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -119.08 119.32 33.87 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 106.012 -1.847 . . . . 25.0 106.012 172.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 68.9 mt -128.88 127.51 66.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 109.269 -0.641 . . . . 25.0 109.269 -174.456 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 99.0 p -121.44 142.7 49.78 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.354 -0.609 . . . . 25.0 109.354 174.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -94.29 -22.9 23.52 Favored Glycine 0 C--O 1.235 0.202 0 C-N-CA 121.271 -0.49 . . . . 25.0 112.631 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 71.91 -157.97 53.24 Favored Glycine 0 C--O 1.244 0.719 0 C-N-CA 121.013 -0.613 . . . . 25.0 111.962 -178.047 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.43 170.1 13.95 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.111 -0.7 . . . . 25.0 109.111 178.336 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.37 171.53 48.23 Favored Glycine 0 C--O 1.238 0.394 0 N-CA-C 111.581 -0.607 . . . . 25.0 111.581 -179.129 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -90.77 118.4 30.16 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 107.637 -1.246 . . . . 25.0 107.637 -178.2 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -126.59 158.09 37.16 Favored 'General case' 0 C--O 1.24 0.581 0 N-CA-C 113.293 0.849 . . . . 50.0 113.293 -171.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 56.6 ttt85 -110.1 129.89 55.62 Favored 'General case' 0 CA--C 1.509 -0.624 0 N-CA-C 105.139 -2.171 . . . . 25.0 105.139 164.135 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.8 mp -116.03 140.5 49.21 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 103.335 -2.839 . . . . 25.0 103.335 172.314 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.424 ' HB3' ' HA ' ' A' ' 11' ' ' ILE . 35.0 t0 -141.05 131.54 25.34 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 104.745 -2.317 . . . . 25.0 104.745 177.232 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -101.34 -22.42 10.55 Favored Glycine 0 C--N 1.319 -0.403 0 N-CA-C 114.124 0.41 . . . . 25.0 114.124 -173.08 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 64.67 -155.93 47.1 Favored Glycine 0 C--O 1.245 0.834 0 C-N-CA 120.536 -0.84 . . . . 25.0 111.307 -174.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.33 174.92 8.16 Favored 'General case' 0 C--O 1.242 0.67 0 O-C-N 121.696 -0.885 . . . . 25.0 110.788 179.13 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 81.63 163.75 32.02 Favored Glycine 0 C--O 1.234 0.103 0 N-CA-C 110.468 -1.053 . . . . 25.0 110.468 -177.52 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -81.45 132.47 35.32 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 106.781 -1.563 . . . . 25.0 106.781 -179.7 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -134.52 153.89 51.72 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 113.604 0.964 . . . . 50.0 113.604 -172.433 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.7 mp -110.94 125.41 53.66 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.268 -1.382 . . . . 25.0 107.268 175.463 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.6 mp -125.16 108.39 11.73 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.177 0.513 . . . . 25.0 112.123 -176.41 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -96.92 105.76 17.96 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 109.525 -0.546 . . . . 25.0 109.525 177.427 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -62.59 -44.34 97.68 Favored Glycine 0 C--O 1.246 0.859 0 C-N-CA 120.481 -0.866 . . . . 25.0 113.358 -177.491 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.31 174.15 45.4 Favored Glycine 0 CA--C 1.518 0.257 0 O-C-N 122.136 -0.626 . . . . 25.0 111.759 -179.125 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.6 152.95 11.05 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 122.133 -0.628 . . . . 25.0 110.233 178.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 94.96 170.39 36.78 Favored Glycine 0 C--O 1.24 0.521 0 N-CA-C 110.08 -1.208 . . . . 25.0 110.08 -175.639 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.2 ptp85 -91.56 133.18 35.75 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 106.791 -1.559 . . . . 25.0 106.791 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -131.68 162.48 30.33 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 112.647 0.61 . . . . 50.0 112.647 -171.254 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -121.99 110.4 15.77 Favored 'General case' 0 CA--C 1.511 -0.533 0 N-CA-C 106.135 -1.802 . . . . 25.0 106.135 176.365 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.5 mp -107.98 105.67 15.55 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.343 -0.614 . . . . 25.0 109.343 -173.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.6 m -97.01 113.44 24.98 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.296 -1.001 . . . . 25.0 108.296 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -81.57 -39.81 11.78 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 119.658 -1.258 . . . . 25.0 112.786 -176.242 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.496 ' H ' ' HB2' ' A' ' 77' ' ' ASP . . . 74.64 -164.17 54.54 Favored Glycine 0 C--O 1.243 0.716 0 N-CA-C 111.04 -0.824 . . . . 25.0 111.04 -177.323 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.9 mp -63.88 154.09 34.84 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.39 -0.596 . . . . 25.0 109.39 178.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 95.86 166.08 34.45 Favored Glycine 0 C--O 1.244 0.735 0 N-CA-C 111.272 -0.731 . . . . 25.0 111.272 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -82.1 120.38 25.24 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 106.449 -1.686 . . . . 25.0 106.449 178.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -119.79 144.21 47.43 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 109.375 -0.602 . . . . 50.0 109.375 -175.293 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 6.8 t -114.35 128.03 56.15 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.362 -0.977 . . . . 25.0 108.362 175.556 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -109.21 121.52 45.34 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 105.714 -1.958 . . . . 25.0 105.714 -177.354 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 75.2 ttt-85 -132.67 146.39 51.83 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 114.559 1.318 . . . . 25.0 114.559 -163.459 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 35.0 p90 -77.12 152.35 34.97 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.016 -0.993 . . . . 25.0 111.28 176.434 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -108.18 -28.67 9.35 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 109.144 -0.687 . . . . 25.0 109.144 169.191 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -133.87 163.73 28.85 Favored 'General case' 0 C--O 1.214 -0.787 0 N-CA-C 106.787 -1.56 . . . . 25.0 106.787 178.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.22 -14.25 62.53 Favored 'General case' 0 C--O 1.212 -0.872 0 O-C-N 121.609 -0.682 . . . . 25.0 111.827 175.138 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -102.84 12.32 36.34 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.134 0.574 . . . . 25.0 111.216 -178.178 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -53.82 -36.21 62.27 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 113.814 1.042 . . . . 25.0 113.814 -175.598 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.8 p -142.45 100.59 3.72 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.887 -0.783 . . . . 25.0 108.887 178.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 36.0 p-80 -140.93 169.87 16.81 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.449 -0.341 . . . . 25.0 110.555 -176.497 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -135.88 149.68 49.09 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.724 -1.214 . . . . 25.0 107.724 176.081 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 99.3 p -155.21 170.67 8.3 Favored Pre-proline 0 C--N 1.321 -0.638 0 N-CA-C 106.016 -1.846 . . . . 25.0 106.016 -176.191 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -70.3 -8.16 22.95 Favored 'Trans proline' 0 CA--C 1.537 0.644 0 C-N-CA 115.115 -2.79 . . . . 25.0 113.579 176.144 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.9 mp -77.31 -11.92 59.89 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 109.75 -0.463 . . . . 25.0 109.75 175.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 141.59 175.3 15.0 Favored Glycine 0 N--CA 1.451 -0.302 0 CA-C-O 121.967 0.76 . . . . 25.0 112.929 178.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.5 t -97.55 131.48 44.11 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.94 -0.763 . . . . 25.0 108.94 177.381 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -126.18 22.38 7.23 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 107.46 -1.311 . . . . 25.0 107.46 -179.123 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 68.3 p -72.72 152.31 41.73 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.271 -0.877 . . . . 25.0 110.916 -178.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -96.24 155.42 16.77 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.201 -0.454 . . . . 50.0 109.832 177.69 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.6 mp -123.38 131.27 53.6 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 106.818 -1.549 . . . . 25.0 106.818 177.336 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 61.5 mt -108.0 144.88 15.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 106.538 -1.653 . . . . 25.0 106.538 -178.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -124.67 152.98 42.99 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 108.013 -1.106 . . . . 25.0 108.013 -175.63 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.496 ' HB2' ' H ' ' A' ' 49' ' ' GLY . 65.7 m-20 56.58 44.44 23.98 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-O 122.119 0.961 . . . . 25.0 110.137 178.616 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -83.74 123.94 30.37 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.674 -1.148 . . . . 25.0 112.174 -177.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -95.89 104.94 18.3 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.154 -0.93 . . . . 25.0 108.778 177.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_endo -69.64 -6.0 17.48 Favored 'Trans proline' 0 C--N 1.345 0.38 0 N-CA-C 115.095 1.152 . . . . 25.0 115.095 -177.499 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.1 m -101.66 -2.24 30.81 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.598 0.592 . . . . 25.0 112.598 178.652 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -142.11 -38.17 0.38 Allowed 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 115.158 1.54 . . . . 25.0 115.158 -174.058 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -77.36 157.5 30.61 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.327 0.585 . . . . 50.0 111.589 -172.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 22.6 tptt -129.55 151.57 50.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.505 . . . . 25.0 111.783 -176.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 33.1 mt -128.66 115.94 39.32 Favored 'Isoleucine or valine' 0 C--O 1.245 0.868 0 N-CA-C 109.699 -0.482 . . . . 25.0 109.699 179.114 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -88.72 112.97 23.78 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.497 -0.557 . . . . 25.0 109.497 178.047 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 16.4 m -130.11 29.16 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 107.693 -1.225 . . . . 25.0 107.693 175.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.21 -8.7 18.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.661 -1.154 . . . . 25.0 113.515 -177.662 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.25 -17.24 63.74 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.217 0.451 . . . . 25.0 112.217 177.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 15.5 mt -116.07 -58.4 2.11 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.728 0.775 . . . . 25.0 109.669 -176.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 77.03 177.12 45.03 Favored Glycine 0 CA--C 1.518 0.237 0 N-CA-C 108.587 -1.805 . . . . 25.0 108.587 -172.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -142.28 137.53 30.7 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.477 -0.934 . . . . 25.0 108.477 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 7.8 tp -94.69 -10.36 9.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.384 0.612 . . . . 25.0 111.199 -174.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -148.51 165.19 29.1 Favored Glycine 0 C--O 1.228 -0.241 0 C-N-CA 120.764 -0.731 . . . . 25.0 113.065 -178.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 77.2 mt -63.08 -28.63 70.21 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 116.577 2.066 . . . . 25.0 116.577 -171.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 147.34 87.21 0.07 OUTLIER Glycine 0 C--O 1.22 -0.736 0 N-CA-C 119.991 2.756 . . . . 25.0 119.991 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -118.95 1.14 11.45 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.007 0.523 . . . . 25.0 109.874 173.107 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 76.04 -8.37 23.81 Favored Glycine 0 N--CA 1.463 0.434 0 N-CA-C 116.286 1.274 . . . . 25.0 116.286 -178.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -141.42 167.76 21.39 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 107.779 -1.193 . . . . 25.0 107.779 -176.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 55.6 50.97 13.38 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.391 0.676 . . . . 25.0 111.409 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 71.52 25.68 74.75 Favored Glycine 0 C--O 1.226 -0.365 0 CA-C-N 115.665 -0.698 . . . . 25.0 114.475 174.507 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 34.7 p -127.58 166.6 17.73 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.101 -0.703 . . . . 25.0 109.101 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -102.2 168.57 9.27 Favored 'General case' 0 C--O 1.213 -0.849 0 N-CA-C 112.774 0.657 . . . . 25.0 112.774 -174.555 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -147.58 142.86 27.29 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 104.105 -2.554 . . . . 25.0 104.105 170.379 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 12.6 p -128.55 146.65 33.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 107.359 -1.348 . . . . 25.0 107.359 -179.106 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 56.4 p -149.2 164.14 35.62 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 106.842 -1.54 . . . . 25.0 106.842 178.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 54.4 mt -131.22 164.17 26.14 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.421 -0.955 . . . . 25.0 108.421 -176.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 84.3 p -75.36 171.74 13.7 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 106.508 -1.664 . . . . 25.0 106.508 169.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.84 -27.44 63.2 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 113.347 0.869 . . . . 25.0 113.347 -178.555 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -101.43 -1.36 33.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.39 0.614 . . . . 25.0 110.236 -175.129 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 72.48 2.63 55.8 Favored Glycine 0 CA--C 1.521 0.407 0 CA-C-N 115.787 -0.642 . . . . 25.0 112.787 -174.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 93.6 mt -77.43 -7.83 56.77 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 113.379 0.881 . . . . 25.0 113.379 -174.349 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -138.59 148.26 43.94 Favored 'General case' 0 CA--C 1.506 -0.73 0 N-CA-C 106.684 -1.599 . . . . 25.0 106.684 177.307 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 17.2 m -128.77 143.52 50.94 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 108.291 -1.003 . . . . 25.0 108.291 -178.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -127.93 138.47 52.65 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.297 -1.001 . . . . 25.0 108.297 178.235 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 68.6 mt -119.62 130.27 55.02 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 107.255 -1.387 . . . . 25.0 107.255 -178.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.69 133.49 43.6 Favored 'General case' 0 C--O 1.217 -0.654 0 N-CA-C 110.205 -0.294 . . . . 25.0 110.205 -179.342 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 39.0 t -144.72 155.55 43.62 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 106.789 -1.56 . . . . 25.0 106.789 174.358 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -137.84 101.58 4.49 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 106.415 -1.698 . . . . 25.0 106.415 174.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -75.61 130.37 38.68 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 104.527 -2.397 . . . . 25.0 104.527 176.57 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -136.58 14.55 3.18 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 107.781 -1.192 . . . . 25.0 107.781 -179.591 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.2 -31.6 14.69 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 105.981 -1.859 . . . . 25.0 105.981 -175.454 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -142.82 -55.77 0.42 Allowed 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 115.157 1.54 . . . . 25.0 115.157 179.113 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 -80.5 -34.63 35.58 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 113.324 0.861 . . . . 25.0 113.324 -173.101 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 68.1 39.03 88.78 Favored Glycine 0 CA--C 1.52 0.376 0 N-CA-C 110.988 -0.845 . . . . 25.0 110.988 -176.48 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 88.0 mmt-85 -133.96 153.27 51.89 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 122.296 -0.532 . . . . 25.0 110.723 -175.475 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 48.4 m -84.98 129.77 34.74 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.36 -0.978 . . . . 25.0 108.36 174.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -119.2 109.93 16.43 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 105.828 -1.916 . . . . 25.0 105.828 177.134 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -136.84 146.62 45.83 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.808 -0.633 . . . . 25.0 109.429 -169.206 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.6 mp -140.85 167.16 22.83 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 108.453 -0.943 . . . . 25.0 108.453 -177.275 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -139.15 152.34 47.36 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.836 -0.431 . . . . 25.0 109.836 175.497 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 64.5 mt -126.82 137.6 53.22 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 106.205 -1.776 . . . . 25.0 106.205 176.351 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -123.13 148.71 45.41 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.712 -0.477 . . . . 25.0 109.712 176.033 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 83.01 22.5 57.43 Favored Glycine 0 C--N 1.33 0.245 0 CA-C-O 121.68 0.6 . . . . 25.0 112.559 177.495 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 35.4 m120 -68.32 141.36 55.84 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.774 0.797 . . . . 25.0 112.35 -176.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -80.08 92.59 5.65 Favored 'General case' 0 C--O 1.217 -0.651 0 N-CA-C 107.304 -1.369 . . . . 25.0 107.304 173.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -60.26 -33.65 72.6 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.987 -0.746 . . . . 25.0 108.987 178.009 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.89 -27.82 69.07 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.241 -0.891 . . . . 25.0 111.91 178.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 69.8 p -129.02 33.43 4.59 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 112.398 0.518 . . . . 25.0 112.398 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.4 pp -62.75 149.61 43.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.434 0.635 . . . . 25.0 111.199 -175.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 40.4 t -152.43 156.15 38.94 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.719 -0.845 . . . . 25.0 108.719 -176.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -104.37 -2.39 25.53 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 122.577 0.351 . . . . 25.0 111.124 178.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -78.24 12.65 18.42 Favored Glycine 0 N--CA 1.463 0.463 0 N-CA-C 115.2 0.84 . . . . 25.0 115.2 -175.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -70.75 -20.85 62.58 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 113.202 0.816 . . . . 25.0 113.202 -176.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.41 HG13 ' H ' ' A' ' 145' ' ' ILE . 1.0 OUTLIER -70.56 142.48 15.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.391 0.615 . . . . 25.0 111.294 -176.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 9.6 p -58.8 -20.67 17.36 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 CA-C-N 115.4 -0.818 . . . . 25.0 112.66 179.285 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -71.16 -20.21 62.32 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.611 0.597 . . . . 25.0 112.611 -179.373 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . 54.67 -151.61 0.37 Allowed 'General case' 0 CA--C 1.534 0.329 0 O-C-N 123.613 0.57 . . . . 25.0 109.889 -177.195 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . 54.7 33.66 19.93 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 113.738 1.014 . . . . 25.0 113.738 177.014 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -76.67 78.14 3.32 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 121.125 0.488 . . . . 25.0 109.951 177.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 8.9 t -69.65 145.96 95.43 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.807 -0.633 . . . . 25.0 110.942 -178.53 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_endo -74.72 176.66 9.51 Favored 'Trans proline' 0 C--O 1.237 0.47 0 C-N-CA 117.562 -1.159 . . . . 25.0 110.488 171.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.221 0 N-CA-C 105.559 -3.016 . . . . 25.0 105.559 176.789 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 206' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.494 0 CA-C-O 118.303 -0.856 . . . . 25.0 109.474 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 49.83 -173.26 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.95 0 O-C-N 125.087 1.492 . . . . 25.0 112.553 -173.009 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -99.23 179.91 31.1 Favored Glycine 0 CA--C 1.511 -0.208 0 N-CA-C 115.515 0.966 . . . . 25.0 115.515 -173.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.6 t -123.52 -177.46 3.73 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 104.579 -2.378 . . . . 25.0 104.579 175.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -83.42 3.04 33.62 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 120.72 -1.237 . . . . 25.0 113.251 -177.598 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -86.09 -170.65 47.21 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 108.886 -1.686 . . . . 25.0 108.886 170.443 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 43.2 m-20 -82.44 136.37 34.94 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 118.796 1.298 . . . . 25.0 108.654 177.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -129.5 152.08 49.43 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 121.086 0.469 . . . . 50.0 111.703 -178.21 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 99.3 t -128.53 114.22 32.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 104.498 -2.408 . . . . 25.0 104.498 170.348 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 67.8 mt -130.79 140.98 50.33 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.473 -0.33 . . . . 25.0 110.576 -174.373 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 74.1 mt -130.68 129.85 64.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 107.242 -1.392 . . . . 25.0 107.242 179.429 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -86.44 -176.06 49.63 Favored Glycine 0 C--O 1.227 -0.33 0 CA-C-O 121.762 0.645 . . . . 25.0 113.395 -179.163 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 79.9 p -114.1 -179.78 3.73 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 123.557 0.743 . . . . 25.0 109.691 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -73.96 -12.58 60.69 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 115.302 1.593 . . . . 25.0 115.302 -175.472 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.3 m -84.71 168.38 1.7 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.438 0 N-CA-C 109.063 -0.717 . . . . 25.0 109.063 178.044 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.48 137.88 26.71 Favored Glycine 0 CA--C 1.517 0.193 0 N-CA-C 110.818 -0.913 . . . . 25.0 110.818 177.511 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -142.8 164.71 29.36 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.385 0.612 . . . . 50.0 112.055 -173.572 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -126.91 114.57 18.04 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 105.888 -1.893 . . . . 25.0 105.888 173.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 62.4 mt -128.37 123.7 60.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.352 -0.61 . . . . 25.0 109.352 -174.604 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 92.1 p -113.84 139.68 48.95 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.723 -0.473 . . . . 25.0 109.723 176.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -93.62 -25.75 17.25 Favored Glycine 0 C--O 1.227 -0.312 0 C-N-CA 121.337 -0.458 . . . . 25.0 113.868 -178.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.51 -158.55 53.3 Favored Glycine 0 C--O 1.242 0.655 0 CA-C-N 117.804 0.802 . . . . 25.0 112.054 -177.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.09 179.6 3.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 121.92 -0.753 . . . . 25.0 109.776 178.13 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.71 167.27 38.71 Favored Glycine 0 C--O 1.24 0.498 0 C-N-CA 121.279 -0.486 . . . . 25.0 112.078 -178.179 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -89.66 113.0 24.41 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 107.272 -1.381 . . . . 25.0 107.272 -179.17 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -119.43 164.21 16.08 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 113.801 1.038 . . . . 50.0 113.801 -171.557 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -128.51 114.31 16.6 Favored 'General case' 0 CA--C 1.511 -0.541 0 N-CA-C 105.768 -1.938 . . . . 25.0 105.768 172.019 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -112.22 139.81 47.45 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 106.154 -1.795 . . . . 25.0 106.154 -178.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -135.25 135.62 41.05 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 104.925 -2.25 . . . . 25.0 104.925 173.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -99.88 -20.92 15.06 Favored Glycine 0 N--CA 1.449 -0.434 0 O-C-N 123.258 0.349 . . . . 25.0 113.292 -176.338 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 64.6 -158.63 43.3 Favored Glycine 0 C--O 1.246 0.858 0 C-N-CA 120.88 -0.676 . . . . 25.0 111.842 -175.156 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.39 174.74 7.71 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.681 -0.893 . . . . 25.0 110.135 178.451 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 83.26 164.64 36.52 Favored Glycine 0 C--O 1.236 0.242 0 N-CA-C 110.927 -0.869 . . . . 25.0 110.927 -178.189 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -83.22 126.57 32.79 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 107.682 -1.229 . . . . 25.0 107.682 -178.52 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -131.41 151.67 51.33 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 114.614 1.339 . . . . 50.0 114.614 -171.468 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.0 mp -110.19 118.61 36.82 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 107.149 -1.426 . . . . 25.0 107.149 174.231 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.8 mp -123.71 115.9 22.17 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.52 0.676 . . . . 25.0 111.935 -177.413 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -104.13 115.87 31.19 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.037 -0.529 . . . . 25.0 109.69 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -71.33 -44.3 52.4 Favored Glycine 0 C--O 1.246 0.849 0 C-N-CA 120.712 -0.756 . . . . 25.0 113.727 -176.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.02 178.32 41.42 Favored Glycine 0 CA--C 1.522 0.487 0 C-N-CA 121.329 -0.462 . . . . 25.0 112.625 -178.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.69 154.92 10.78 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.91 -0.759 . . . . 25.0 110.421 179.084 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 97.13 172.84 34.16 Favored Glycine 0 C--O 1.239 0.434 0 N-CA-C 110.344 -1.102 . . . . 25.0 110.344 -176.291 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.9 ptp85 -99.33 118.46 36.03 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 107.576 -1.268 . . . . 25.0 107.576 -178.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -122.07 167.48 13.09 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 113.392 0.886 . . . . 50.0 113.392 -166.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -127.01 132.01 50.87 Favored 'General case' 0 CA--C 1.509 -0.631 0 N-CA-C 104.199 -2.519 . . . . 25.0 104.199 176.652 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.9 mp -131.64 99.13 4.69 Favored 'General case' 0 C--N 1.321 -0.653 0 O-C-N 123.658 0.599 . . . . 25.0 110.479 -175.133 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 28.7 m -87.97 115.91 25.77 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 107.84 -1.17 . . . . 25.0 107.84 178.34 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -83.05 -42.19 8.21 Favored Glycine 0 C--O 1.238 0.385 0 C-N-CA 119.861 -1.161 . . . . 25.0 111.001 -179.03 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.54 -163.89 53.01 Favored Glycine 0 C--O 1.242 0.617 0 N-CA-C 111.404 -0.678 . . . . 25.0 111.404 -179.155 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.9 mt -62.43 154.54 28.0 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 121.058 0.456 . . . . 25.0 110.869 178.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 94.58 164.53 35.76 Favored Glycine 0 C--O 1.245 0.816 0 N-CA-C 110.553 -1.019 . . . . 25.0 110.553 -178.568 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.38 122.57 28.65 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 106.017 -1.846 . . . . 25.0 106.017 178.424 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -121.18 152.05 39.23 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 109.523 -0.547 . . . . 50.0 109.523 -175.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.1 t -123.18 138.73 54.58 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.106 -1.072 . . . . 25.0 108.106 174.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -119.29 129.01 54.68 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 107.848 -1.168 . . . . 25.0 107.848 -176.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 53.7 ttt85 -131.29 141.88 50.04 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 115.613 1.708 . . . . 25.0 115.613 -169.007 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 48.0 p90 -73.51 162.43 29.27 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 114.648 -1.16 . . . . 25.0 111.699 174.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -128.02 -5.14 5.61 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 116.386 -0.37 . . . . 25.0 110.833 166.198 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 21.5 tp -157.22 167.02 31.58 Favored 'General case' 0 C--O 1.22 -0.466 0 N-CA-C 107.885 -1.154 . . . . 25.0 107.885 -176.469 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 36.3 ptt180 -78.66 -23.34 45.78 Favored 'General case' 0 C--O 1.206 -1.204 0 CA-C-N 119.083 0.856 . . . . 25.0 110.404 173.661 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -97.95 17.09 19.05 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 123.086 1.422 . . . . 25.0 109.302 -176.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -63.11 -34.98 78.78 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 113.32 -1.764 . . . . 25.0 110.841 176.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.0 t -145.7 100.33 3.41 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 105.714 -1.958 . . . . 25.0 105.714 175.422 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 25.3 t-80 -155.56 114.7 3.57 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.367 -0.975 . . . . 25.0 108.367 -168.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.8 mtm180 -104.02 125.25 50.24 Favored 'General case' 0 C--O 1.217 -0.622 0 CA-C-O 121.004 0.43 . . . . 25.0 109.964 -176.459 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 60.3 p -149.26 160.64 34.26 Favored Pre-proline 0 C--N 1.326 -0.441 0 N-CA-C 108.064 -1.087 . . . . 25.0 108.064 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -71.53 -15.96 30.65 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 117.13 -1.447 . . . . 25.0 113.048 178.009 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 75.3 mt -82.22 -7.52 59.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.463 0.649 . . . . 25.0 110.374 179.292 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 159.69 106.39 0.22 Allowed Glycine 0 N--CA 1.449 -0.461 0 N-CA-C 108.985 -1.646 . . . . 25.0 108.985 -177.596 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.6 t -97.32 118.11 33.05 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.636 0.732 . . . . 25.0 110.828 -177.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -125.55 137.61 53.93 Favored 'General case' 0 C--O 1.216 -0.704 0 N-CA-C 105.76 -1.941 . . . . 25.0 105.76 177.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 45.0 t -153.86 147.61 25.32 Favored 'General case' 0 CA--C 1.492 -1.286 0 N-CA-C 104.214 -2.513 . . . . 25.0 104.214 178.296 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -104.29 150.51 24.38 Favored 'General case' 0 C--N 1.312 -1.026 0 N-CA-C 107.848 -1.167 . . . . 50.0 107.848 176.539 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.72 132.66 55.18 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 106.193 -1.78 . . . . 25.0 106.193 178.384 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 38.9 mt -107.92 142.25 21.09 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.718 0 N-CA-C 103.368 -2.827 . . . . 25.0 103.368 175.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -124.12 149.93 45.67 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 106.836 -1.542 . . . . 25.0 106.836 -175.38 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 53.54 47.78 23.2 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 122.354 1.073 . . . . 25.0 108.88 -178.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -80.18 130.04 34.93 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.303 -1.317 . . . . 25.0 110.957 -176.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -105.69 91.07 4.72 Favored Pre-proline 0 C--N 1.324 -0.511 0 N-CA-C 108.709 -0.848 . . . . 25.0 108.709 177.228 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -66.66 -2.02 6.81 Favored 'Trans proline' 0 CA--C 1.534 0.52 0 N-CA-C 115.221 1.2 . . . . 25.0 115.221 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.9 t -99.38 -4.39 31.7 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 112.085 0.402 . . . . 25.0 112.085 176.202 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 60.8 mm-40 -139.87 -34.07 0.57 Allowed 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 114.341 1.237 . . . . 25.0 114.341 -173.396 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -82.47 175.21 10.39 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.314 0.578 . . . . 50.0 111.572 -171.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 39.4 tptt -144.45 146.13 32.28 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 122.153 -0.342 . . . . 25.0 110.262 -179.045 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 41.8 mt -127.09 121.19 57.29 Favored 'Isoleucine or valine' 0 C--O 1.243 0.727 0 CA-C-O 121.517 0.675 . . . . 25.0 110.31 178.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.34 122.52 30.42 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.082 -1.081 . . . . 25.0 108.082 176.011 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 26.9 m -131.67 16.95 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 CA-C-O 121.062 0.458 . . . . 25.0 112.233 -177.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.2 t -55.18 -38.73 68.72 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 114.65 1.352 . . . . 25.0 114.65 -173.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.15 -22.94 62.94 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 112.855 0.687 . . . . 25.0 112.855 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 23.4 mt -81.48 -59.26 2.68 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 106.364 -1.717 . . . . 25.0 106.364 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 79.03 141.5 2.1 Favored Glycine 0 C--O 1.222 -0.602 0 CA-C-N 114.463 -1.244 . . . . 25.0 111.902 -178.461 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -148.69 154.49 39.71 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 102.996 -2.964 . . . . 25.0 102.996 177.242 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 10.5 tp -142.1 -31.92 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 N-CA-C 113.579 0.955 . . . . 25.0 113.579 -176.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -92.75 170.33 32.07 Favored Glycine 0 C--O 1.222 -0.599 0 C-N-CA 120.959 -0.639 . . . . 25.0 112.273 -178.481 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 89.8 mt -81.65 -97.97 0.04 OUTLIER 'General case' 0 C--O 1.218 -0.605 0 N-CA-C 115.063 1.505 . . . . 25.0 115.063 -175.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -142.74 44.93 0.94 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 119.77 2.668 . . . . 25.0 119.77 -166.098 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -110.71 -0.85 16.95 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 119.047 1.423 . . . . 25.0 112.049 178.204 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 75.71 -1.07 59.55 Favored Glycine 0 N--CA 1.46 0.286 0 N-CA-C 117.297 1.679 . . . . 25.0 117.297 178.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.43 ' HA ' ' HB3' ' A' ' 119' ' ' TYR . 96.3 m-85 -136.77 160.13 39.78 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 117.634 0.717 . . . . 25.0 110.597 -178.009 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 52.98 49.13 20.87 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 113.007 0.744 . . . . 25.0 113.007 176.033 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 83.71 -0.98 89.35 Favored Glycine 0 N--CA 1.453 -0.202 0 N-CA-C 114.791 0.676 . . . . 25.0 114.791 176.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 34.6 p -100.23 159.0 15.46 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 107.467 -1.309 . . . . 25.0 107.467 179.492 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 74.9 mt -99.43 164.43 12.1 Favored 'General case' 0 C--O 1.215 -0.76 0 N-CA-C 113.375 0.88 . . . . 25.0 113.375 -171.177 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -132.37 121.28 23.24 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 105.384 -2.08 . . . . 25.0 105.384 169.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 7.3 p -109.6 142.33 22.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 N-CA-C 106.621 -1.622 . . . . 25.0 106.621 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 47.8 p -139.73 155.87 47.1 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 107.139 -1.43 . . . . 25.0 107.139 178.141 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 61.9 mt -133.45 160.62 36.86 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.987 -0.745 . . . . 25.0 108.987 -174.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 16.1 p -77.0 171.35 14.94 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 106.937 -1.505 . . . . 25.0 106.937 169.188 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.11 -14.77 57.09 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 113.983 1.105 . . . . 25.0 113.983 -178.037 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 10.7 p30 -114.0 1.69 14.76 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.763 -0.828 . . . . 25.0 108.763 -178.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 68.78 2.79 31.37 Favored Glycine 0 CA--C 1.519 0.302 0 CA-C-N 115.632 -0.713 . . . . 25.0 114.367 -178.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 97.6 mt -75.09 -16.2 60.57 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 117.461 0.63 . . . . 25.0 112.0 -174.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 56.2 mtt-85 -122.53 143.2 49.87 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 106.349 -1.722 . . . . 25.0 106.349 176.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 13.6 m -137.07 142.66 42.38 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.11 -1.07 . . . . 25.0 108.11 -177.301 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -131.74 140.37 49.24 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.168 -1.049 . . . . 25.0 108.168 178.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 83.9 mt -120.0 127.74 52.89 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.622 -0.881 . . . . 25.0 108.622 -178.121 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 4.2 tmtt? -124.07 147.9 47.51 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 106.451 -1.685 . . . . 25.0 106.451 -178.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 17.3 t -143.44 163.06 34.15 Favored 'General case' 0 C--O 1.241 0.623 0 N-CA-C 105.84 -1.911 . . . . 25.0 105.84 173.458 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.43 ' HB3' ' HA ' ' A' ' 99' ' ' TYR . 88.9 t80 -140.86 107.62 5.37 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 106.304 -1.739 . . . . 25.0 106.304 173.177 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -121.77 137.51 54.74 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 107.494 -1.298 . . . . 25.0 107.494 -171.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -136.74 10.72 3.14 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 113.715 1.006 . . . . 25.0 113.715 -178.204 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -72.31 -34.27 68.0 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 114.764 -1.107 . . . . 25.0 109.667 -178.014 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -120.79 79.63 1.52 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.229 -0.896 . . . . 25.0 111.462 -177.383 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? 55.72 31.13 16.87 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.745 1.017 . . . . 25.0 113.745 174.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 68.91 17.35 71.43 Favored Glycine 0 N--CA 1.461 0.301 0 N-CA-C 115.589 0.996 . . . . 25.0 115.589 176.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 22.0 mmt85 -79.98 109.83 14.79 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 117.887 0.844 . . . . 25.0 108.849 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 42.4 m -110.28 147.24 34.24 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.141 -0.689 . . . . 25.0 109.141 -178.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -116.87 133.67 55.72 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.353 0.597 . . . . 25.0 110.98 -174.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -141.75 145.8 35.24 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.654 -0.869 . . . . 25.0 108.654 -171.378 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.8 mp -142.21 172.6 12.47 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 122.701 0.401 . . . . 25.0 110.836 -173.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -144.29 152.76 41.23 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 109.993 -0.373 . . . . 25.0 109.993 174.351 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 51.6 mt -132.07 149.01 52.52 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.091 -1.448 . . . . 25.0 107.091 177.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -143.39 158.15 43.87 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.017 -1.105 . . . . 25.0 108.017 174.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 71.48 24.84 76.37 Favored Glycine 0 C--O 1.224 -0.53 0 N-CA-C 109.813 -1.315 . . . . 25.0 109.813 -175.238 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -75.76 130.77 39.15 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.337 0.495 . . . . 25.0 112.337 -175.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -77.57 88.83 3.89 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.036 -0.727 . . . . 25.0 109.036 172.033 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -60.54 -30.88 70.03 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.519 -0.764 . . . . 25.0 109.649 177.443 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -60.25 -26.46 66.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.159 -0.928 . . . . 25.0 110.962 177.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 74.0 p -127.22 31.25 5.27 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 112.704 0.631 . . . . 25.0 112.704 178.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.5 pp -63.3 142.69 58.29 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 120.46 -0.496 . . . . 25.0 110.211 -177.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 46.8 t -156.08 148.76 23.92 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.965 0.412 . . . . 25.0 111.844 -176.158 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -83.04 -9.17 59.39 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 121.097 0.475 . . . . 25.0 110.462 176.342 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -65.02 -12.84 56.22 Favored Glycine 0 CA--C 1.519 0.334 0 N-CA-C 114.864 0.706 . . . . 25.0 114.864 -176.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 58.6 m-80 -67.28 -24.4 65.78 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.858 0.361 . . . . 25.0 111.811 179.107 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 64.7 mt -73.38 136.21 25.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 108.626 -0.879 . . . . 25.0 108.626 -176.365 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 9.9 p -56.31 -24.55 18.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 N-CA-C 114.34 1.237 . . . . 25.0 114.34 -177.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -66.95 -29.0 68.74 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 121.836 -0.54 . . . . 25.0 112.006 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . 52.34 -152.27 0.26 Allowed 'General case' 0 CA--C 1.54 0.586 0 O-C-N 123.507 0.504 . . . . 25.0 111.318 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . 53.27 32.35 13.37 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.489 1.292 . . . . 25.0 114.489 176.355 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -64.12 134.86 55.7 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.501 -0.926 . . . . 25.0 108.501 177.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 7.8 t -71.89 144.57 88.13 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 108.138 -1.06 . . . . 25.0 108.138 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -74.29 161.66 40.02 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 116.836 -1.642 . . . . 25.0 112.312 179.166 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.297 0 N-CA-C 105.677 -2.969 . . . . 25.0 105.677 178.724 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 206' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 118.307 -0.854 . . . . 25.0 109.41 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 50.27 -175.45 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.07 0 O-C-N 124.953 1.408 . . . . 25.0 113.488 -175.258 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -97.13 166.03 23.14 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.889 -0.672 . . . . 25.0 113.225 -178.199 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.8 t -107.53 -176.99 3.22 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 104.623 -2.362 . . . . 25.0 104.623 175.202 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -83.75 1.38 43.08 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 120.808 -1.182 . . . . 25.0 112.488 -179.211 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -84.1 -172.06 48.54 Favored Glycine 0 C--N 1.318 -0.453 0 N-CA-C 108.593 -1.803 . . . . 25.0 108.593 169.66 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 56.6 m-20 -82.81 135.46 34.95 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 118.649 1.225 . . . . 25.0 108.703 178.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -128.57 155.77 44.4 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 120.988 0.423 . . . . 50.0 111.977 -178.582 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 88.6 t -124.99 110.19 24.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 104.995 -2.224 . . . . 25.0 104.995 169.646 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.5 mt -118.91 130.68 55.86 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.057 -1.09 . . . . 25.0 108.057 -175.469 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.417 ' HA ' ' HB3' ' A' ' 29' ' ' ASP . 87.3 mt -134.12 128.8 53.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 107.626 -1.25 . . . . 25.0 107.626 -179.645 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -89.84 -172.44 45.12 Favored Glycine 0 C--N 1.329 0.161 0 CA-C-O 121.961 0.756 . . . . 25.0 114.589 -177.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.2 t -118.08 -169.91 1.78 Allowed 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.731 0.813 . . . . 25.0 110.339 -179.36 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -70.11 -29.04 65.89 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 114.087 1.144 . . . . 25.0 114.087 -176.076 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.7 m -70.38 162.73 3.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.567 -0.288 . . . . 25.0 110.494 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.26 137.79 25.56 Favored Glycine 0 C--O 1.229 -0.215 0 N-CA-C 109.917 -1.273 . . . . 25.0 109.917 177.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -141.45 162.4 35.57 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 121.371 0.605 . . . . 50.0 112.532 -172.501 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -125.04 118.74 26.86 Favored 'General case' 0 C--N 1.323 -0.543 0 N-CA-C 106.057 -1.831 . . . . 25.0 106.057 175.282 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 59.7 mt -128.26 126.32 65.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 110.138 -0.319 . . . . 25.0 110.138 -171.712 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 70.3 p -122.63 132.13 54.14 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 122.278 -0.264 . . . . 25.0 110.402 178.699 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -92.74 -24.58 22.9 Favored Glycine 0 CA--C 1.518 0.235 0 N-CA-C 115.738 1.055 . . . . 25.0 115.738 -176.595 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.82 -159.26 53.54 Favored Glycine 0 C--O 1.245 0.824 0 CA-C-N 118.164 0.982 . . . . 25.0 112.152 -178.041 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.79 179.88 3.44 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 121.645 -0.915 . . . . 25.0 109.605 178.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.0 168.87 40.58 Favored Glycine 0 C--O 1.244 0.739 0 C-N-CA 121.39 -0.433 . . . . 25.0 112.03 -178.559 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.405 ' HB3' HH12 ' A' ' 45' ' ' ARG . 46.4 m-20 -90.77 112.18 23.86 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 108.266 -1.012 . . . . 25.0 108.266 -178.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -121.08 165.37 15.41 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 114.292 1.219 . . . . 50.0 114.292 -171.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -117.32 135.08 54.1 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 104.803 -2.295 . . . . 25.0 104.803 164.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.5 mp -123.48 143.64 50.04 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 103.038 -2.949 . . . . 25.0 103.038 173.329 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.417 ' HB3' ' HA ' ' A' ' 11' ' ' ILE . 16.9 t0 -145.07 135.12 23.84 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 106.364 -1.717 . . . . 25.0 106.364 177.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -104.44 -24.17 7.61 Favored Glycine 0 N--CA 1.446 -0.657 0 O-C-N 123.363 0.414 . . . . 25.0 113.411 -175.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 63.04 -150.28 49.01 Favored Glycine 0 CA--C 1.526 0.765 0 C-N-CA 120.396 -0.907 . . . . 25.0 112.206 -175.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.33 170.62 12.75 Favored 'General case' 0 C--O 1.243 0.739 0 O-C-N 121.771 -0.84 . . . . 25.0 111.086 179.245 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 81.55 166.91 37.74 Favored Glycine 0 CA--C 1.515 0.089 0 N-CA-C 111.248 -0.741 . . . . 25.0 111.248 -178.272 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -84.1 130.16 34.87 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 106.206 -1.776 . . . . 25.0 106.206 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -132.89 152.95 51.79 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 112.783 0.66 . . . . 50.0 112.783 -173.087 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.5 mp -114.99 119.89 38.02 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.139 -1.06 . . . . 25.0 108.139 176.419 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.6 mp -121.61 131.57 54.19 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 111.646 0.239 . . . . 25.0 111.646 -176.487 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -121.79 110.62 16.13 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.13 0.572 . . . . 25.0 109.462 177.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -70.22 -36.98 71.5 Favored Glycine 0 C--O 1.244 0.729 0 C-N-CA 120.644 -0.789 . . . . 25.0 114.506 -175.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.97 -177.8 44.47 Favored Glycine 0 CA--C 1.523 0.586 0 CA-C-N 117.009 0.404 . . . . 25.0 112.58 -177.265 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.19 157.2 10.91 Favored 'General case' 0 CA--C 1.546 0.814 0 O-C-N 121.722 -0.869 . . . . 25.0 110.642 178.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.11 172.42 44.76 Favored Glycine 0 C--O 1.241 0.556 0 N-CA-C 109.989 -1.244 . . . . 25.0 109.989 -176.2 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.6 ptp85 -91.65 135.57 33.78 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 106.944 -1.502 . . . . 25.0 106.944 179.262 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -135.68 167.2 21.57 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.0 0.429 . . . . 50.0 112.145 -172.556 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.405 HH12 ' HB3' ' A' ' 25' ' ' ASP . 0.3 OUTLIER -125.26 108.99 12.28 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 105.707 -1.96 . . . . 25.0 105.707 178.73 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.5 mp -106.29 95.75 5.99 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 109.377 -0.601 . . . . 25.0 109.377 -173.618 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.413 ' HB ' ' HA ' ' A' ' 29' ' ' ASP . 18.1 m -88.07 114.45 24.7 Favored 'General case' 0 C--N 1.32 -0.681 0 O-C-N 121.95 -0.469 . . . . 25.0 110.182 -177.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -86.58 -41.71 6.76 Favored Glycine 0 CA--C 1.509 -0.313 0 C-N-CA 120.1 -1.047 . . . . 25.0 112.552 -178.664 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.07 -161.06 54.14 Favored Glycine 0 C--O 1.239 0.432 0 N-CA-C 111.127 -0.789 . . . . 25.0 111.127 -179.041 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.6 mt -62.67 155.97 24.84 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.327 0.584 . . . . 25.0 111.169 178.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.19 166.35 32.68 Favored Glycine 0 C--O 1.245 0.834 0 CA-C-N 115.087 -0.96 . . . . 25.0 112.197 -179.694 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -86.54 106.81 17.79 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 106.537 -1.653 . . . . 25.0 106.537 178.51 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -109.34 153.55 23.76 Favored 'General case' 0 C--N 1.313 -1.008 0 N-CA-C 109.478 -0.564 . . . . 50.0 109.478 -173.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.0 t -124.64 142.31 51.46 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.818 0.818 . . . . 25.0 109.244 172.499 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -118.78 120.9 38.75 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.799 -1.091 . . . . 25.0 108.257 -176.647 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -113.05 134.93 54.3 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.127 0.489 . . . . 25.0 111.468 -171.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -89.06 151.64 22.13 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.63 -0.878 . . . . 25.0 108.63 176.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -103.69 -48.21 4.01 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 112.946 0.721 . . . . 25.0 112.946 179.351 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.4 mp -132.57 165.95 23.21 Favored 'General case' 0 C--O 1.21 -1.023 0 N-CA-C 107.773 -1.195 . . . . 25.0 107.773 -176.163 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 38.1 ptt180 -63.64 -23.0 67.2 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 121.05 -1.031 . . . . 25.0 111.178 175.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -86.48 9.26 18.8 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.892 -0.594 . . . . 25.0 112.239 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -65.93 -30.85 71.5 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.392 -0.367 . . . . 25.0 110.355 177.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 58.9 p -148.05 123.28 10.22 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 109.664 -0.495 . . . . 25.0 109.664 178.322 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -155.52 153.21 29.87 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 108.524 -0.917 . . . . 25.0 108.524 -175.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 25.2 mtm180 -132.67 150.19 52.19 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 119.355 0.979 . . . . 25.0 108.617 175.196 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 85.1 p -152.9 168.0 12.28 Favored Pre-proline 0 C--N 1.321 -0.635 0 N-CA-C 108.706 -0.85 . . . . 25.0 108.706 -172.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -70.61 -11.53 29.88 Favored 'Trans proline' 0 C--N 1.352 0.75 0 C-N-CA 116.764 -1.691 . . . . 25.0 112.988 175.441 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 69.2 mt -81.11 -6.2 58.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.847 0.356 . . . . 25.0 110.392 177.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 136.73 170.6 11.98 Favored Glycine 0 C--O 1.24 0.507 0 N-CA-C 111.639 -0.584 . . . . 25.0 111.639 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.3 t -91.55 140.42 29.76 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.184 -0.673 . . . . 25.0 109.184 177.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -130.92 20.84 4.96 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 106.367 -1.716 . . . . 25.0 106.367 177.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 86.3 p -82.11 151.62 26.91 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 108.641 -0.874 . . . . 25.0 108.641 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -83.53 160.66 21.43 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.225 -0.657 . . . . 50.0 109.225 177.126 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.3 mp -119.81 128.67 53.92 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 104.438 -2.43 . . . . 25.0 104.438 170.31 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 52.5 mt -96.98 139.5 19.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 101.903 -3.369 . . . . 25.0 101.903 172.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -115.19 143.61 44.97 Favored 'General case' 0 C--N 1.311 -1.066 0 N-CA-C 108.709 -0.849 . . . . 25.0 108.709 -173.355 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 57.43 45.6 19.51 Favored 'General case' 0 C--O 1.243 0.752 0 O-C-N 124.59 1.181 . . . . 25.0 108.995 178.373 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -80.39 124.9 29.28 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.898 -1.047 . . . . 25.0 110.228 -178.128 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -101.01 98.07 8.02 Favored Pre-proline 0 C--N 1.317 -0.812 0 CA-C-N 114.961 -1.018 . . . . 25.0 108.817 178.603 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -64.58 -12.43 33.56 Favored 'Trans proline' 0 CA--C 1.536 0.612 0 N-CA-C 114.429 0.896 . . . . 25.0 114.429 179.329 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 48.3 t -85.22 -11.45 54.89 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 112.673 0.619 . . . . 25.0 112.673 176.053 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 90.6 mm-40 -134.94 -36.99 0.81 Allowed 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 114.451 1.278 . . . . 25.0 114.451 -172.006 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -87.77 161.83 17.36 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 113.315 0.858 . . . . 50.0 113.315 -169.041 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.5 tptt -131.39 154.42 48.65 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.227 -0.442 . . . . 25.0 111.901 -177.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 68.1 mt -127.62 115.52 40.08 Favored 'Isoleucine or valine' 0 C--O 1.241 0.618 0 CA-C-O 121.084 0.469 . . . . 25.0 110.268 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -95.48 108.37 20.59 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 123.316 0.646 . . . . 25.0 110.439 177.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.7 m -135.9 159.69 39.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 108.189 -1.041 . . . . 25.0 108.189 178.599 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 41.3 t -156.91 -62.59 0.1 Allowed 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 114.336 1.236 . . . . 25.0 114.336 178.076 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.88 14.23 0.3 Allowed 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 116.08 1.882 . . . . 25.0 116.08 -170.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 18.7 mt -83.55 -31.85 26.17 Favored 'General case' 0 C--O 1.216 -0.659 0 N-CA-C 106.466 -1.679 . . . . 25.0 106.466 176.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 77.94 28.47 56.53 Favored Glycine 0 CA--C 1.521 0.447 0 N-CA-C 117.952 1.941 . . . . 25.0 117.952 171.316 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -62.54 134.39 56.31 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.265 -1.013 . . . . 25.0 108.265 176.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 10.4 tp -137.56 -28.92 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 N-CA-C 114.841 1.423 . . . . 25.0 114.841 -170.17 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.781 ' HA3' HG22 ' A' ' 102' ' ' THR . . . -88.12 163.17 32.9 Favored Glycine 0 C--O 1.222 -0.597 0 C-N-CA 120.097 -1.049 . . . . 25.0 114.973 -176.207 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 75.3 mt -58.24 -36.04 72.6 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 116.218 1.933 . . . . 25.0 116.218 -172.327 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 138.54 72.31 0.05 OUTLIER Glycine 0 CA--C 1.521 0.442 0 N-CA-C 119.07 2.388 . . . . 25.0 119.07 177.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -111.79 -4.79 14.53 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 122.188 -0.595 . . . . 25.0 110.427 175.681 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 83.48 -0.84 89.45 Favored Glycine 0 N--CA 1.46 0.26 0 N-CA-C 115.941 1.136 . . . . 25.0 115.941 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.417 ' HA ' ' HB3' ' A' ' 119' ' ' TYR . 93.7 m-85 -142.67 156.01 44.99 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.632 -0.877 . . . . 25.0 108.632 -178.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 58.3 51.06 8.77 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 113.841 1.052 . . . . 25.0 113.841 177.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 77.68 16.54 80.01 Favored Glycine 0 CA--C 1.508 -0.394 0 C-N-CA 120.841 -0.695 . . . . 25.0 113.41 173.49 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.781 HG22 ' HA3' ' A' ' 94' ' ' GLY . 13.3 p -122.45 138.23 54.61 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 106.581 -1.636 . . . . 25.0 106.581 -178.754 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 36.3 mt -91.17 147.25 23.19 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 116.412 2.005 . . . . 25.0 116.412 -171.196 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -139.12 156.89 46.82 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 106.627 -1.62 . . . . 25.0 106.627 169.045 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 59.7 t -127.04 135.4 63.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 107.905 -1.146 . . . . 25.0 107.905 -177.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 84.5 p -130.28 157.11 43.41 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 107.123 -1.436 . . . . 25.0 107.123 176.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.6 mp -134.38 165.94 23.98 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 110.041 -0.355 . . . . 25.0 110.041 -175.195 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 97.1 p -76.35 171.66 14.21 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.215 -1.402 . . . . 25.0 107.215 171.593 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.37 -32.83 67.18 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 113.23 0.826 . . . . 25.0 113.23 -177.473 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -99.12 0.62 43.91 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.546 0.689 . . . . 25.0 110.518 -175.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 73.18 4.36 63.39 Favored Glycine 0 C--N 1.322 -0.199 0 CA-C-N 115.283 -0.871 . . . . 25.0 113.047 -175.517 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 72.9 mt -71.31 -18.79 62.39 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 113.664 0.987 . . . . 25.0 113.664 -175.024 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 -132.24 146.89 52.32 Favored 'General case' 0 CA--C 1.501 -0.926 0 N-CA-C 107.227 -1.397 . . . . 25.0 107.227 176.046 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 29.4 m -136.2 146.71 47.11 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 107.894 -1.15 . . . . 25.0 107.894 -175.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -133.37 145.72 50.61 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.186 -1.042 . . . . 25.0 108.186 178.419 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 5.0 mp -123.11 128.63 50.36 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 107.137 -1.431 . . . . 25.0 107.137 -178.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -128.38 134.11 48.76 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.436 -0.347 . . . . 25.0 110.812 -175.39 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 20.8 t -120.14 -28.46 5.09 Favored 'General case' 0 N--CA 1.468 0.474 0 O-C-N 123.871 0.732 . . . . 25.0 111.747 176.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.417 ' HB3' ' HA ' ' A' ' 99' ' ' TYR . 6.5 t80 43.05 55.12 4.64 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 122.164 0.983 . . . . 25.0 112.601 -177.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.73 137.12 57.06 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.689 -1.141 . . . . 25.0 109.279 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.414 ' HA ' ' HA2' ' A' ' 125' ' ' GLY . . . -146.37 13.05 1.22 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 122.275 1.036 . . . . 25.0 109.532 177.768 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -81.3 -13.07 58.82 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 113.704 -1.589 . . . . 25.0 114.069 -166.532 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -132.96 -64.41 0.74 Allowed 'General case' 0 C--O 1.215 -0.73 0 CA-C-O 121.281 0.562 . . . . 25.0 112.43 179.515 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 -102.84 -5.68 23.35 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.87 0.693 . . . . 25.0 112.87 -176.354 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.414 ' HA2' ' HA ' ' A' ' 121' ' ' ALA . . . 68.07 32.26 76.49 Favored Glycine 0 CA--C 1.525 0.694 0 C-N-CA 120.707 -0.758 . . . . 25.0 111.55 -175.552 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 87.7 mmt-85 -134.31 142.45 47.27 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 105.723 -1.955 . . . . 25.0 105.723 -177.381 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 68.8 p -118.14 139.62 50.99 Favored 'General case' 0 C--O 1.244 0.773 0 N-CA-C 116.563 2.06 . . . . 25.0 116.563 -169.415 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -99.98 125.06 45.95 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 107.822 -1.177 . . . . 25.0 107.822 175.329 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -143.29 151.06 40.08 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 105.922 -1.881 . . . . 25.0 105.922 -177.16 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.2 mp -131.23 167.57 18.96 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 120.706 0.289 . . . . 25.0 111.293 -171.545 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -139.88 155.08 47.39 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.402 -0.592 . . . . 25.0 109.402 178.134 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.52 ' HB3' HD21 ' A' ' 135' ' ' ASN . 67.5 mt -136.61 155.58 49.72 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 106.197 -1.779 . . . . 25.0 106.197 176.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -145.3 153.38 41.21 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 107.584 -1.265 . . . . 25.0 107.584 -177.18 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 67.5 42.59 88.61 Favored Glycine 0 C--O 1.226 -0.355 0 N-CA-C 109.995 -1.242 . . . . 25.0 109.995 -177.046 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' ASN . . . . . 0.52 HD21 ' HB3' ' A' ' 132' ' ' LEU . 31.2 m120 -90.89 145.0 25.11 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 114.505 1.298 . . . . 25.0 114.505 -173.453 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 68.1 m80 -103.32 77.46 1.52 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.318 -1.31 . . . . 25.0 108.997 175.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -63.88 -25.49 68.18 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.662 -0.699 . . . . 25.0 109.871 178.666 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -62.14 -25.2 67.61 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 116.131 -0.486 . . . . 25.0 111.207 176.302 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 80.6 p -119.83 32.04 6.25 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 116.84 -0.164 . . . . 25.0 111.213 178.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.6 pp -56.81 154.93 8.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.785 0.802 . . . . 25.0 113.061 -175.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 42.1 t -149.63 151.99 34.68 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 107.375 -1.342 . . . . 25.0 107.375 179.473 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -92.04 -15.89 27.22 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.453 0.644 . . . . 25.0 109.988 177.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -85.3 26.13 5.83 Favored Glycine 0 C--O 1.225 -0.468 0 N-CA-C 115.481 0.953 . . . . 25.0 115.481 -174.5 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -66.06 -33.83 76.68 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.493 0.663 . . . . 25.0 111.297 -178.369 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -74.57 146.49 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.707 0.765 . . . . 25.0 112.432 -177.033 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 9.1 p -61.51 -19.58 21.08 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 CA-C-N 115.488 -0.778 . . . . 25.0 111.887 179.551 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -64.74 -25.47 67.94 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 122.296 -0.252 . . . . 25.0 111.556 179.261 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . 52.46 -147.36 0.46 Allowed 'General case' 0 CA--C 1.534 0.34 0 O-C-N 123.56 0.538 . . . . 25.0 110.291 -178.472 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . 59.32 13.02 2.89 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 115.719 1.748 . . . . 25.0 115.719 175.531 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -79.15 53.49 1.46 Allowed 'General case' 0 CA--C 1.542 0.665 0 CA-C-O 121.289 0.566 . . . . 25.0 111.509 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 15.1 t -81.85 144.77 52.39 Favored Pre-proline 0 CA--C 1.54 0.566 0 CA-C-N 116.03 -0.532 . . . . 25.0 110.469 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -76.54 173.98 13.6 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 117.694 -1.07 . . . . 25.0 111.403 175.361 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.145 0 N-CA-C 105.246 -3.142 . . . . 25.0 105.246 176.889 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 206' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 118.41 -0.805 . . . . 25.0 109.634 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 65.32 117.59 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.951 0 O-C-N 124.967 1.417 . . . . 25.0 114.226 -178.132 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -89.44 172.76 39.81 Favored Glycine 0 N--CA 1.451 -0.307 0 N-CA-C 110.88 -0.888 . . . . 25.0 110.88 176.598 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 68.7 p -80.42 -176.02 5.46 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.438 -0.949 . . . . 25.0 108.438 176.695 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -89.62 9.04 28.37 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 121.324 -0.86 . . . . 25.0 111.124 174.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -90.02 -154.62 29.97 Favored Glycine 0 CA--C 1.518 0.234 0 N-CA-C 109.122 -1.591 . . . . 25.0 109.122 173.185 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -94.83 125.03 39.21 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 107.773 -1.195 . . . . 25.0 107.773 176.55 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -130.88 155.16 47.22 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 121.142 0.496 . . . . 50.0 111.8 -175.006 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 84.0 t -124.86 115.3 43.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 106.142 -1.799 . . . . 25.0 106.142 173.052 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.8 mp -120.59 128.32 52.94 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.581 -0.896 . . . . 25.0 108.581 -179.232 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 37.8 mm -119.59 123.04 70.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 107.86 -1.163 . . . . 25.0 107.86 -178.204 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -83.38 154.47 31.47 Favored Glycine 0 N--CA 1.449 -0.482 0 CA-C-O 121.791 0.661 . . . . 25.0 113.537 -178.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 87.8 p -86.66 -178.72 6.44 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.083 -0.71 . . . . 25.0 109.083 177.612 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -76.4 -10.52 59.46 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 115.417 1.636 . . . . 25.0 115.417 -176.299 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.4 m -85.6 167.51 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 N-CA-C 108.779 -0.823 . . . . 25.0 108.779 176.311 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.97 136.42 24.1 Favored Glycine 0 CA--C 1.515 0.093 0 C-N-CA 120.461 -0.876 . . . . 25.0 111.574 179.152 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -142.94 163.42 32.84 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 117.405 0.603 . . . . 50.0 112.365 -174.551 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -118.33 118.27 31.34 Favored 'General case' 0 C--O 1.237 0.429 0 N-CA-C 105.642 -1.984 . . . . 25.0 105.642 171.086 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 54.7 mt -126.95 123.45 62.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 109.11 -0.7 . . . . 25.0 109.11 -174.357 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.3 p -116.59 140.88 48.89 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.835 -0.431 . . . . 25.0 109.835 179.273 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -95.75 -25.68 12.95 Favored Glycine 0 C--N 1.325 -0.077 0 C-N-CA 121.369 -0.443 . . . . 25.0 114.027 -178.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 73.06 -162.02 54.61 Favored Glycine 0 C--O 1.244 0.736 0 N-CA-C 111.395 -0.682 . . . . 25.0 111.395 -177.511 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.5 175.76 4.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 122.006 -0.703 . . . . 25.0 109.341 177.309 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.95 172.89 49.13 Favored Glycine 0 C--O 1.246 0.856 0 C-N-CA 121.274 -0.489 . . . . 25.0 113.3 179.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -86.72 112.19 21.42 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.879 -0.786 . . . . 25.0 108.879 -178.636 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -120.87 165.9 14.54 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 114.101 1.149 . . . . 50.0 114.101 -174.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -123.25 127.0 47.98 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 105.043 -2.206 . . . . 25.0 105.043 167.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -121.35 121.58 37.95 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 106.261 -1.755 . . . . 25.0 106.261 178.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -117.09 138.6 51.51 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 105.146 -2.168 . . . . 25.0 105.146 173.185 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -93.38 -28.34 11.72 Favored Glycine 0 C--N 1.319 -0.364 0 C-N-CA 121.289 -0.481 . . . . 25.0 112.564 -179.279 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 72.75 -163.37 54.84 Favored Glycine 0 C--O 1.245 0.814 0 N-CA-C 109.184 -1.566 . . . . 25.0 109.184 -174.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.1 175.82 7.12 Favored 'General case' 0 C--O 1.244 0.813 0 CA-C-N 118.002 0.901 . . . . 25.0 109.53 177.194 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.78 167.04 36.51 Favored Glycine 0 C--O 1.242 0.607 0 N-CA-C 110.165 -1.174 . . . . 25.0 110.165 -176.564 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -84.54 134.65 34.41 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 107.026 -1.472 . . . . 25.0 107.026 -179.222 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -136.7 152.98 50.98 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 114.214 1.19 . . . . 50.0 114.214 -171.675 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.9 mp -108.89 123.83 49.7 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 105.739 -1.949 . . . . 25.0 105.739 174.159 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.0 mp -124.31 107.27 10.98 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.064 0.459 . . . . 25.0 110.664 -177.71 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -99.84 104.81 16.5 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 108.656 -0.868 . . . . 25.0 108.656 -178.214 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -63.86 -41.84 98.64 Favored Glycine 0 C--O 1.247 0.938 0 C-N-CA 120.751 -0.738 . . . . 25.0 114.567 -174.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.49 175.94 44.09 Favored Glycine 0 C--O 1.238 0.358 0 N-CA-C 111.644 -0.582 . . . . 25.0 111.644 -178.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.29 154.99 7.34 Favored 'General case' 0 C--O 1.243 0.749 0 O-C-N 122.194 -0.592 . . . . 25.0 111.703 -179.11 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 87.39 168.57 44.82 Favored Glycine 0 C--O 1.24 0.512 0 N-CA-C 110.533 -1.027 . . . . 25.0 110.533 -176.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.2 ptp85 -82.92 145.18 29.55 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 107.301 -1.37 . . . . 25.0 107.301 179.199 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -140.7 169.26 17.98 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 120.579 0.228 . . . . 50.0 110.466 -174.401 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.6 120.69 28.71 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 104.874 -2.269 . . . . 25.0 104.874 177.376 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.6 mp -121.75 98.51 5.99 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.844 0.683 . . . . 25.0 112.844 -171.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -88.04 104.89 17.09 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 122.609 0.364 . . . . 25.0 110.692 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -72.13 -42.44 51.06 Favored Glycine 0 C--O 1.249 1.086 0 C-N-CA 119.817 -1.182 . . . . 25.0 113.265 -177.071 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.86 -163.01 53.88 Favored Glycine 0 C--O 1.241 0.556 0 N-CA-C 111.526 -0.63 . . . . 25.0 111.526 -178.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 86.5 mt -62.36 155.06 26.2 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-O 121.168 0.508 . . . . 25.0 111.299 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 90.37 168.09 42.31 Favored Glycine 0 C--O 1.246 0.878 0 CA-C-N 115.136 -0.938 . . . . 25.0 110.818 -178.102 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -84.77 128.03 34.41 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 106.322 -1.733 . . . . 25.0 106.322 177.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -122.84 147.65 46.31 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 109.389 -0.597 . . . . 50.0 109.389 -174.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.6 t -119.76 124.01 45.14 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 107.959 -1.126 . . . . 25.0 107.959 174.59 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -102.29 129.94 48.85 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 106.541 -1.652 . . . . 25.0 106.541 -177.573 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -124.66 145.22 49.77 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 116.674 2.101 . . . . 25.0 116.674 -168.555 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 43.1 p90 -81.52 160.2 23.97 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.052 -1.431 . . . . 25.0 108.29 169.246 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -125.81 -21.77 4.33 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 109.237 -0.653 . . . . 25.0 109.237 167.379 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.0 mp -135.97 172.06 13.56 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 107.264 -1.384 . . . . 25.0 107.264 179.431 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 41.6 ptt180 -78.21 -26.47 47.48 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 108.768 -0.827 . . . . 25.0 108.768 168.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -81.56 7.49 11.97 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 121.409 0.623 . . . . 25.0 111.085 178.482 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -66.07 -28.65 68.99 Favored 'General case' 0 C--O 1.242 0.695 0 CA-C-N 116.296 -0.411 . . . . 25.0 111.455 -179.343 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.401 ' HA ' ' HA ' ' A' ' 72' ' ' SER . 39.4 p -144.65 102.17 3.77 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 115.826 -0.624 . . . . 25.0 110.972 179.437 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 19.5 t60 -149.81 151.43 33.53 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.831 -0.803 . . . . 25.0 108.831 -177.423 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 31.9 mtm180 -132.82 147.67 52.31 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 119.286 0.948 . . . . 25.0 108.542 175.535 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.8 m -137.58 164.91 38.08 Favored Pre-proline 0 C--N 1.322 -0.598 0 N-CA-C 107.729 -1.212 . . . . 25.0 107.729 -174.377 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -69.14 -10.57 29.42 Favored 'Trans proline' 0 CA--C 1.536 0.602 0 C-N-CA 115.751 -2.366 . . . . 25.0 112.946 175.414 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.0 mp -78.45 -9.23 59.22 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 122.4 0.28 . . . . 25.0 110.955 175.56 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 137.69 173.66 13.03 Favored Glycine 0 N--CA 1.455 -0.087 0 N-CA-C 112.003 -0.439 . . . . 25.0 112.003 -179.029 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.4 t -83.62 143.98 29.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 122.19 -0.594 . . . . 25.0 109.684 178.156 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -134.73 23.52 3.64 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 105.07 -2.196 . . . . 25.0 105.07 174.56 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.401 ' HA ' ' HA ' ' A' ' 63' ' ' SER . 18.0 t -113.01 158.88 19.73 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-N 115.063 -0.971 . . . . 25.0 110.717 -175.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -86.23 155.25 20.78 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 114.867 -1.061 . . . . 50.0 112.418 -173.661 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 9.0 mp -117.16 121.91 42.6 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 104.28 -2.489 . . . . 25.0 104.28 173.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 31.5 mt -91.78 143.76 10.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 N-CA-C 102.777 -3.046 . . . . 25.0 102.777 176.605 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 60.0 mt -123.15 145.13 48.86 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 108.13 -1.063 . . . . 25.0 108.13 -173.634 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 53.07 44.99 29.66 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 122.129 0.966 . . . . 25.0 109.045 179.367 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -76.52 130.33 37.76 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.899 -1.046 . . . . 25.0 110.208 -177.191 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -102.47 94.05 4.62 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 115.72 -0.673 . . . . 25.0 109.594 177.476 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -69.67 4.79 1.95 Allowed 'Trans proline' 0 CA--C 1.537 0.653 0 N-CA-C 114.181 0.8 . . . . 25.0 114.181 176.61 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 20.2 t -95.08 -13.62 24.98 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 122.506 0.322 . . . . 25.0 110.711 174.376 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -141.03 -34.55 0.5 Allowed 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 115.929 1.826 . . . . 25.0 115.929 -173.114 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -84.97 156.76 21.03 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.589 0.589 . . . . 50.0 112.589 -169.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 39.5 tptt -123.56 149.73 44.9 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.23 0.612 . . . . 25.0 109.7 -176.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 25.8 mt -126.52 116.94 46.86 Favored 'Isoleucine or valine' 0 C--O 1.243 0.729 0 CA-C-O 121.042 0.449 . . . . 25.0 109.929 176.59 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -82.68 121.49 26.92 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 107.36 -1.348 . . . . 25.0 107.36 176.102 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 18.1 m -135.53 27.64 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 CA-C-O 121.865 0.841 . . . . 25.0 110.038 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.99 -25.61 67.73 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 114.855 1.428 . . . . 25.0 114.855 -174.323 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -75.36 -13.44 60.41 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 112.246 0.461 . . . . 25.0 112.246 177.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.7 mt -98.59 -36.6 9.84 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 106.924 -1.51 . . . . 25.0 106.924 -178.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 65.03 37.3 94.05 Favored Glycine 0 C--O 1.226 -0.346 0 N-CA-C 117.301 1.68 . . . . 25.0 117.301 168.436 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -57.62 129.87 43.83 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 117.827 0.813 . . . . 25.0 111.839 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 14.5 tt -92.28 -8.63 10.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.415 0.626 . . . . 25.0 111.081 -176.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -153.8 162.54 30.46 Favored Glycine 0 CA--C 1.509 -0.335 0 N-CA-C 111.251 -0.74 . . . . 25.0 111.251 178.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 75.3 mt -119.6 0.53 11.0 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 114.805 1.409 . . . . 25.0 114.805 -173.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -126.45 -29.74 0.89 Allowed Glycine 0 CA--C 1.523 0.59 0 N-CA-C 119.215 2.446 . . . . 25.0 119.215 -174.386 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -77.38 -26.41 51.85 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 118.872 1.336 . . . . 25.0 114.31 -171.294 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.427 ' HA3' ' HB2' ' A' ' 104' ' ' ALA . . . 76.09 16.3 80.79 Favored Glycine 0 C--O 1.225 -0.41 0 N-CA-C 118.645 2.218 . . . . 25.0 118.645 175.228 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -147.38 160.42 42.56 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 118.467 1.133 . . . . 25.0 109.225 178.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 51.01 50.98 18.01 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 114.028 1.122 . . . . 25.0 114.028 173.663 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 79.93 17.62 74.37 Favored Glycine 0 N--CA 1.453 -0.186 0 C-N-CA 120.422 -0.894 . . . . 25.0 113.92 177.284 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 54.5 p -121.14 143.69 48.97 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 106.882 -1.525 . . . . 25.0 106.882 175.373 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 89.8 mt -85.58 161.62 19.22 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.267 0.556 . . . . 25.0 112.353 -176.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.427 ' HB2' ' HA3' ' A' ' 98' ' ' GLY . . . -131.73 157.31 44.13 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 101.71 -3.441 . . . . 25.0 101.71 166.048 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 11.5 p -124.46 151.08 29.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.172 -0.677 . . . . 25.0 109.172 -176.679 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 64.9 p -146.72 162.7 37.97 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 106.734 -1.58 . . . . 25.0 106.734 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 88.8 mt -129.41 159.11 37.24 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.682 -0.488 . . . . 25.0 109.682 -178.024 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 27.2 t -77.75 160.5 28.37 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 105.286 -2.116 . . . . 25.0 105.286 169.027 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -71.47 13.61 0.23 Allowed 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 114.139 1.162 . . . . 25.0 114.139 -177.055 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 8.8 p30 -114.25 -9.43 12.84 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 107.798 -1.186 . . . . 25.0 107.798 178.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 72.0 5.06 60.87 Favored Glycine 0 CA--C 1.519 0.326 0 CA-C-N 116.11 -0.495 . . . . 25.0 112.468 -177.382 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 83.1 mt -97.27 -17.46 19.79 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-O 121.38 0.61 . . . . 25.0 112.476 -173.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 4.6 mtp180 -124.76 146.7 49.07 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.849 -0.797 . . . . 25.0 108.849 -175.372 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 28.1 m -135.28 138.14 43.2 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.711 -0.477 . . . . 25.0 109.711 -174.558 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -131.47 142.62 50.02 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.802 -0.814 . . . . 25.0 108.802 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.9 mp -127.24 146.55 50.38 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.604 -0.517 . . . . 25.0 109.604 -175.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 19.8 tttp -140.94 129.12 22.17 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 112.233 0.457 . . . . 25.0 112.233 -177.063 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 32.7 t -93.99 -14.49 25.85 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-O 121.565 0.697 . . . . 25.0 111.991 177.334 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 70.03 -55.77 0.59 Allowed 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 125.53 1.532 . . . . 25.0 114.864 178.49 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 48.78 41.54 18.33 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-O 123.569 1.652 . . . . 25.0 114.031 171.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -70.4 -1.81 11.81 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 113.25 -1.796 . . . . 25.0 113.27 -178.04 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -66.95 -32.74 74.18 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-N 111.821 -2.445 . . . . 25.0 108.952 177.716 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -132.07 87.04 2.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.255 -0.884 . . . . 25.0 110.558 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 57.63 15.79 3.06 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 115.23 1.567 . . . . 25.0 115.23 175.349 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 67.58 34.0 82.73 Favored Glycine 0 C--O 1.233 0.068 0 C-N-CA 120.28 -0.962 . . . . 25.0 112.248 -179.46 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 89.5 mmt-85 -82.63 75.99 9.51 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.0 -0.741 . . . . 25.0 109.0 179.007 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 14.8 m -69.46 120.32 15.07 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 114.618 1.34 . . . . 25.0 114.618 -175.083 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -76.28 129.46 36.69 Favored 'General case' 0 C--O 1.242 0.696 0 N-CA-C 104.474 -2.417 . . . . 25.0 104.474 166.331 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -144.09 150.58 38.37 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 107.409 -1.33 . . . . 25.0 107.409 -175.216 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.9 mp -135.39 162.43 32.64 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 109.594 -0.521 . . . . 25.0 109.594 -177.422 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -138.2 144.62 40.76 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 121.119 0.485 . . . . 25.0 111.731 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 65.5 mt -130.74 133.21 45.83 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.529 -1.285 . . . . 25.0 107.529 176.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -120.99 143.53 48.98 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 106.682 -1.599 . . . . 25.0 106.682 173.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 73.47 29.28 64.12 Favored Glycine 0 C--O 1.225 -0.464 0 N-CA-C 109.995 -1.242 . . . . 25.0 109.995 -178.666 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -79.03 124.74 28.56 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.55 -0.537 . . . . 25.0 109.55 -178.598 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 77.7 m80 -76.15 84.42 2.99 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.326 0.584 . . . . 25.0 110.241 177.363 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -60.87 -27.46 68.14 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.116 -0.698 . . . . 25.0 109.116 175.527 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -60.81 -27.47 68.06 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 115.739 -0.664 . . . . 25.0 111.38 176.412 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 76.5 p -125.35 34.45 4.94 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 111.598 0.222 . . . . 25.0 111.598 178.586 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.0 pp -62.48 150.03 41.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.645 0.736 . . . . 25.0 112.844 -175.256 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 29.3 t -155.5 147.14 23.06 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.396 -1.335 . . . . 25.0 107.396 175.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -99.34 -7.96 25.54 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.241 0.543 . . . . 25.0 110.722 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -74.18 -6.35 74.27 Favored Glycine 0 N--CA 1.46 0.26 0 C-N-CA 121.182 -0.533 . . . . 25.0 113.171 -178.625 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -76.46 -13.74 60.09 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.55 0.69 . . . . 25.0 111.881 -179.154 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 62.9 mt -80.97 144.28 10.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 N-CA-C 104.695 -2.335 . . . . 25.0 104.695 179.164 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 6.0 p -51.16 -27.3 5.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 N-CA-C 115.311 1.597 . . . . 25.0 115.311 -173.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -71.27 -25.08 62.3 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 113.21 0.818 . . . . 25.0 113.21 -178.309 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . 53.35 -154.06 0.24 Allowed 'General case' 0 CA--C 1.539 0.538 0 O-C-N 123.542 0.526 . . . . 25.0 110.999 -178.547 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . 60.76 1.62 0.45 Allowed 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 116.346 1.98 . . . . 25.0 116.346 176.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -77.15 86.83 3.61 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.086 0.469 . . . . 25.0 111.312 -179.403 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 11.5 t -69.43 146.68 96.57 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 115.756 -0.657 . . . . 25.0 109.25 177.539 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -72.43 164.53 35.33 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 116.535 -1.843 . . . . 25.0 111.112 174.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.244 0 N-CA-C 105.546 -3.022 . . . . 25.0 105.546 179.408 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 206' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 118.534 -0.746 . . . . 25.0 109.548 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 66.56 159.62 0.13 Allowed 'General case' 0 N--CA 1.477 0.895 0 O-C-N 124.902 1.376 . . . . 25.0 110.929 -175.442 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -97.62 -166.14 32.06 Favored Glycine 0 C--O 1.227 -0.287 0 CA-C-O 121.749 0.638 . . . . 25.0 114.276 -175.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.433 HG23 ' H ' ' A' ' 6' ' ' GLY . 6.8 t -125.01 -173.91 2.92 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 104.889 -2.263 . . . . 25.0 104.889 176.461 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -84.85 4.07 34.95 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 120.895 -1.128 . . . . 25.0 113.367 -176.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.433 ' H ' HG23 ' A' ' 4' ' ' THR . . . -85.24 -169.97 46.6 Favored Glycine 0 C--N 1.321 -0.284 0 N-CA-C 109.138 -1.585 . . . . 25.0 109.138 171.128 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 64.0 m-20 -86.42 130.42 34.51 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 118.69 1.245 . . . . 25.0 108.078 177.362 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -127.53 156.45 42.19 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 112.838 0.681 . . . . 50.0 112.838 -175.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 97.7 t -124.82 116.72 48.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 104.214 -2.513 . . . . 25.0 104.214 168.088 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 45.9 mt -122.13 134.9 54.74 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.673 -0.862 . . . . 25.0 108.673 -173.571 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 73.9 mt -130.74 124.96 57.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 107.611 -1.255 . . . . 25.0 107.611 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -85.75 157.03 30.75 Favored Glycine 0 N--CA 1.45 -0.433 0 CA-C-O 121.599 0.555 . . . . 25.0 113.395 -178.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 89.0 p -83.85 -178.87 7.13 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 123.391 0.677 . . . . 25.0 109.79 177.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -73.26 -14.79 61.39 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 115.367 1.618 . . . . 25.0 115.367 -176.533 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.0 m -84.31 168.03 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 109.182 -0.673 . . . . 25.0 109.182 178.345 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.49 137.49 26.12 Favored Glycine 0 N--CA 1.453 -0.203 0 N-CA-C 110.813 -0.915 . . . . 25.0 110.813 177.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -143.35 167.24 22.63 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.059 0.457 . . . . 50.0 111.11 -174.471 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.0 tm0? -121.73 126.17 48.29 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 103.302 -2.851 . . . . 25.0 103.302 170.157 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 61.7 mt -128.63 121.31 54.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 108.223 -1.029 . . . . 25.0 108.223 -175.18 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 94.2 p -110.63 138.58 46.83 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.701 -0.852 . . . . 25.0 108.701 177.28 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -91.03 -25.68 23.85 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.867 -0.682 . . . . 25.0 111.849 178.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 71.65 -159.48 53.82 Favored Glycine 0 C--O 1.247 0.914 0 N-CA-C 110.768 -0.933 . . . . 25.0 110.768 -176.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.5 -179.87 3.71 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.731 -0.84 . . . . 25.0 108.731 176.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.2 169.03 41.2 Favored Glycine 0 C--O 1.242 0.634 0 C-N-CA 121.051 -0.595 . . . . 25.0 111.908 -178.007 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -92.88 112.94 25.08 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.129 -1.063 . . . . 25.0 108.129 -178.149 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -122.69 167.93 12.84 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 114.485 1.291 . . . . 50.0 114.485 -170.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 66.0 ttt180 -125.67 129.5 49.7 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 105.695 -1.965 . . . . 25.0 105.695 166.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.5 mp -122.08 126.16 47.8 Favored 'General case' 0 C--N 1.319 -0.717 0 N-CA-C 105.881 -1.896 . . . . 25.0 105.881 178.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -119.38 135.64 54.64 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 104.439 -2.43 . . . . 25.0 104.439 173.005 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -93.34 -25.21 19.6 Favored Glycine 0 C--N 1.32 -0.351 0 C-N-CA 121.466 -0.397 . . . . 25.0 113.386 -176.417 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 71.23 -160.04 53.98 Favored Glycine 0 C--O 1.246 0.896 0 N-CA-C 110.499 -1.041 . . . . 25.0 110.499 -176.313 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.21 172.81 10.43 Favored 'General case' 0 C--O 1.243 0.762 0 N-CA-C 109.567 -0.531 . . . . 25.0 109.567 178.103 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 83.09 165.42 37.7 Favored Glycine 0 C--O 1.241 0.542 0 N-CA-C 110.716 -0.954 . . . . 25.0 110.716 -177.548 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -84.84 126.62 33.61 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 106.851 -1.537 . . . . 25.0 106.851 -179.224 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -130.94 152.65 50.03 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 113.587 0.958 . . . . 50.0 113.587 -170.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.1 mp -108.25 130.78 55.15 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 106.367 -1.716 . . . . 25.0 106.367 172.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.5 mp -127.44 113.4 16.14 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.203 -0.295 . . . . 25.0 110.203 -176.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -106.45 108.7 20.34 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 122.701 0.4 . . . . 25.0 109.938 -178.571 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -67.91 -44.8 77.58 Favored Glycine 0 C--O 1.249 1.05 0 C-N-CA 120.684 -0.769 . . . . 25.0 114.827 -174.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.49 -173.51 54.97 Favored Glycine 0 C--O 1.245 0.79 0 O-C-N 122.395 -0.473 . . . . 25.0 112.154 -178.273 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.05 161.6 12.94 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 122.452 -0.44 . . . . 25.0 109.972 177.587 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 86.84 174.97 49.32 Favored Glycine 0 N--CA 1.461 0.309 0 N-CA-C 109.523 -1.431 . . . . 25.0 109.523 -176.019 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.3 ptp180 -100.01 132.37 45.4 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 107.9 -1.148 . . . . 25.0 107.9 179.033 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -132.64 165.98 23.19 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 116.061 -0.518 . . . . 50.0 111.686 -168.469 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.09 123.97 39.53 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 105.268 -2.123 . . . . 25.0 105.268 177.757 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.1 mp -119.95 94.59 4.44 Favored 'General case' 0 C--N 1.322 -0.595 0 O-C-N 123.271 0.357 . . . . 25.0 110.249 -173.486 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.4 m -88.11 110.65 20.82 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.388 -0.597 . . . . 25.0 109.388 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -77.5 -41.28 20.83 Favored Glycine 0 C--O 1.248 1.018 0 C-N-CA 119.578 -1.296 . . . . 25.0 113.313 -176.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.91 -161.39 54.03 Favored Glycine 0 C--O 1.24 0.518 0 N-CA-C 111.342 -0.703 . . . . 25.0 111.342 -177.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.5 mt -62.96 155.08 28.44 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 121.105 0.478 . . . . 25.0 111.256 179.414 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 92.18 167.96 40.14 Favored Glycine 0 C--O 1.246 0.851 0 CA-C-N 115.195 -0.911 . . . . 25.0 111.034 -178.584 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -84.57 123.55 30.43 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 106.455 -1.683 . . . . 25.0 106.455 178.137 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -118.77 139.26 51.87 Favored 'General case' 0 C--N 1.319 -0.752 0 O-C-N 122.096 -0.377 . . . . 50.0 110.932 -174.105 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 29.3 m -108.27 103.93 13.21 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.857 -0.794 . . . . 25.0 108.857 178.183 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -86.81 124.25 32.84 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 104.833 -2.284 . . . . 25.0 104.833 178.173 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 52.3 ttt-85 -132.12 150.89 52.04 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.685 0.755 . . . . 25.0 112.809 -168.659 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 53.6 p90 -77.01 158.91 30.3 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.858 -1.064 . . . . 25.0 108.897 172.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -124.04 -41.54 2.21 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 107.505 -1.294 . . . . 25.0 107.505 169.084 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -126.21 170.42 11.86 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 106.702 -1.592 . . . . 25.0 106.702 176.484 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 39.3 ptt180 -69.87 -14.84 62.93 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-O 122.023 0.916 . . . . 25.0 109.776 171.401 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -81.3 3.07 25.39 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.419 -0.81 . . . . 25.0 111.214 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.81 -33.04 74.79 Favored 'General case' 0 CA--C 1.514 -0.423 0 C-N-CA 120.56 -0.456 . . . . 25.0 111.368 -179.043 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.434 ' HA ' ' HA ' ' A' ' 72' ' ' SER . 18.5 m -151.0 93.08 1.89 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.412 0.625 . . . . 25.0 111.615 175.378 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -143.94 151.75 40.18 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 107.759 -1.2 . . . . 25.0 107.759 -176.003 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 76.1 mtt180 -126.82 147.2 50.04 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 118.706 0.684 . . . . 25.0 111.443 179.223 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 27.2 t -151.82 154.66 33.19 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 106.394 -1.706 . . . . 25.0 106.394 -175.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_endo -68.8 -14.62 39.39 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 116.201 -2.066 . . . . 25.0 112.561 175.285 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 81.2 mt -79.07 -7.3 58.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.041 0.448 . . . . 25.0 110.805 177.229 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 147.0 152.64 5.69 Favored Glycine 0 N--CA 1.449 -0.472 0 N-CA-C 111.353 -0.699 . . . . 25.0 111.353 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.4 t -100.38 143.22 30.83 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.657 -0.868 . . . . 25.0 108.657 179.112 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -124.27 10.4 8.66 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.659 -0.867 . . . . 25.0 108.659 179.006 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.434 ' HA ' ' HA ' ' A' ' 63' ' ' SER . 83.1 p -67.25 137.22 55.98 Favored 'General case' 0 CA--C 1.508 -0.653 0 N-CA-C 108.894 -0.78 . . . . 25.0 108.894 179.637 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -96.4 157.32 15.95 Favored 'General case' 0 C--N 1.318 -0.772 0 O-C-N 123.487 0.492 . . . . 50.0 110.715 -177.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.3 mp -115.09 124.9 52.75 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 105.427 -2.064 . . . . 25.0 105.427 174.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 67.0 mt -92.28 144.69 8.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 N-CA-C 102.479 -3.156 . . . . 25.0 102.479 173.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -123.52 141.21 52.23 Favored 'General case' 0 C--N 1.314 -0.963 0 O-C-N 124.023 0.827 . . . . 25.0 109.005 -173.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 54.92 50.36 15.74 Favored 'General case' 0 C--O 1.241 0.608 0 O-C-N 124.453 1.096 . . . . 25.0 109.323 177.706 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -77.89 129.42 35.35 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.473 -1.239 . . . . 25.0 111.553 -176.637 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -103.48 94.19 5.7 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.747 -0.661 . . . . 25.0 109.414 177.613 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -64.21 -15.69 50.85 Favored 'Trans proline' 0 CA--C 1.532 0.376 0 N-CA-C 114.518 0.93 . . . . 25.0 114.518 -179.381 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.6 t -81.07 -11.11 59.58 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 112.926 0.713 . . . . 25.0 112.926 177.23 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 -137.44 -37.55 0.62 Allowed 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 114.247 1.203 . . . . 25.0 114.247 -172.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -84.65 162.42 19.73 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.13 0.49 . . . . 50.0 112.278 -171.555 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 48.1 tptt -129.92 144.02 51.1 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 123.11 0.564 . . . . 25.0 109.818 -178.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 43.7 mt -123.57 112.97 35.38 Favored 'Isoleucine or valine' 0 C--O 1.242 0.666 0 N-CA-C 109.74 -0.467 . . . . 25.0 109.74 177.182 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -94.1 123.9 37.77 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 110.019 -0.363 . . . . 25.0 110.019 177.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 28.5 m -127.23 22.08 2.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 CA-C-O 121.331 0.586 . . . . 25.0 112.303 -177.671 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.7 t -59.49 -28.39 66.98 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 115.151 1.537 . . . . 25.0 115.151 -174.095 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -76.61 -13.59 60.05 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 112.678 0.621 . . . . 25.0 112.678 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 23.4 mt -87.67 -51.45 5.87 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 105.206 -2.146 . . . . 25.0 105.206 178.356 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 80.1 111.54 0.27 Allowed Glycine 0 C--O 1.218 -0.86 0 CA-C-N 114.252 -1.34 . . . . 25.0 114.056 174.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -125.95 133.71 51.75 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 105.027 -2.212 . . . . 25.0 105.027 176.266 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 10.1 tp -114.78 -18.95 7.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 113.003 0.742 . . . . 25.0 113.003 -170.287 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.608 ' HA3' HG22 ' A' ' 102' ' ' THR . . . -111.88 157.89 14.67 Favored Glycine 0 C--O 1.226 -0.361 0 C-N-CA 120.65 -0.786 . . . . 25.0 113.574 -178.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 77.6 mt -60.47 -32.26 71.24 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 115.299 1.592 . . . . 25.0 115.299 -174.349 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 143.77 85.97 0.08 OUTLIER Glycine 0 C--O 1.221 -0.715 0 N-CA-C 118.991 2.357 . . . . 25.0 118.991 178.502 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -118.94 -2.31 10.85 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 110.062 -0.347 . . . . 25.0 110.062 174.033 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 81.81 -1.62 85.76 Favored Glycine 0 N--CA 1.461 0.306 0 N-CA-C 116.688 1.435 . . . . 25.0 116.688 179.603 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -140.37 154.87 46.88 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.955 0.378 . . . . 25.0 110.242 -178.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 56.23 50.34 13.61 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 114.203 1.186 . . . . 25.0 114.203 174.355 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 81.6 21.82 61.22 Favored Glycine 0 CA--C 1.508 -0.385 0 C-N-CA 120.709 -0.757 . . . . 25.0 112.425 173.525 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.608 HG22 ' HA3' ' A' ' 94' ' ' GLY . 14.6 p -130.96 140.1 50.12 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 105.899 -1.889 . . . . 25.0 105.899 179.545 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 49.8 mt -89.12 157.59 18.25 Favored 'General case' 0 C--O 1.216 -0.677 0 N-CA-C 115.968 1.84 . . . . 25.0 115.968 -170.559 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -136.74 154.99 50.43 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 104.641 -2.355 . . . . 25.0 104.641 168.359 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 9.2 p -128.56 153.21 37.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 108.595 -0.891 . . . . 25.0 108.595 -177.654 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 40.7 p -148.71 161.91 40.8 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 106.098 -1.816 . . . . 25.0 106.098 177.041 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 84.2 mt -130.21 163.52 26.53 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.703 -0.481 . . . . 25.0 109.703 -176.506 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 18.0 p -77.57 169.55 18.11 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.045 -1.094 . . . . 25.0 108.045 170.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.92 -10.51 39.41 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 114.492 1.293 . . . . 25.0 114.492 -177.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 25.7 p30 -114.62 2.02 14.4 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.108 -0.701 . . . . 25.0 109.108 -178.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 68.43 4.74 39.56 Favored Glycine 0 CA--C 1.519 0.31 0 CA-C-N 115.966 -0.561 . . . . 25.0 114.043 -179.017 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 98.9 mt -84.67 -12.38 54.0 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 117.547 0.673 . . . . 25.0 112.353 -174.622 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 87.9 mtt180 -129.36 148.98 51.34 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.417 -0.957 . . . . 25.0 108.417 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 28.0 m -134.18 141.84 47.21 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 108.423 -0.954 . . . . 25.0 108.423 -175.434 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -130.55 142.89 50.47 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.709 -0.849 . . . . 25.0 108.709 178.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 37.0 mt -126.57 142.45 51.53 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 109.868 -0.419 . . . . 25.0 109.868 -177.293 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 39.1 tttt -142.65 136.17 28.82 Favored 'General case' 0 C--O 1.218 -0.592 0 O-C-N 123.216 0.322 . . . . 25.0 111.119 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 30.5 t -115.11 -27.99 7.12 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 113.81 1.041 . . . . 25.0 113.81 179.226 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.408 ' HA ' ' HB3' ' A' ' 127' ' ' SER . 6.4 t80 47.59 55.19 8.7 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-O 122.792 1.282 . . . . 25.0 111.777 -179.198 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -63.23 146.24 53.83 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 113.206 -1.816 . . . . 25.0 114.835 -172.222 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -139.09 14.43 2.63 Favored 'General case' 0 C--O 1.221 -0.43 0 CA-C-O 122.289 1.043 . . . . 25.0 109.245 178.533 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -68.64 -30.58 69.31 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 113.61 -1.632 . . . . 25.0 112.514 -171.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -151.75 -30.8 0.16 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 114.414 1.264 . . . . 25.0 114.414 -178.611 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -124.8 -13.39 6.94 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 115.119 1.526 . . . . 25.0 115.119 -172.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 66.63 28.22 73.64 Favored Glycine 0 CA--C 1.519 0.332 0 C-N-CA 120.784 -0.722 . . . . 25.0 114.319 178.025 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 25.6 mmt180 -137.06 151.61 49.11 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 105.606 -1.998 . . . . 25.0 105.606 -179.239 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.408 ' HB3' ' HA ' ' A' ' 119' ' ' TYR . 53.0 p -92.94 132.41 37.08 Favored 'General case' 0 C--O 1.241 0.655 0 N-CA-C 116.813 2.153 . . . . 25.0 116.813 -167.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -88.72 129.58 35.51 Favored 'General case' 0 C--O 1.241 0.63 0 N-CA-C 104.472 -2.418 . . . . 25.0 104.472 164.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -144.82 145.23 31.54 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 106.179 -1.786 . . . . 25.0 106.179 -176.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.5 mp -131.02 169.76 15.41 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 122.528 0.331 . . . . 25.0 110.459 -174.306 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -147.03 154.09 40.79 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.841 -0.429 . . . . 25.0 109.841 175.597 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 56.2 mt -136.61 137.53 40.22 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 106.116 -1.809 . . . . 25.0 106.116 177.646 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -126.19 148.11 49.51 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 106.736 -1.579 . . . . 25.0 106.736 175.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 75.86 48.55 9.92 Favored Glycine 0 C--O 1.228 -0.249 0 N-CA-C 110.421 -1.071 . . . . 25.0 110.421 -178.263 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -87.08 126.98 35.11 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.944 0.72 . . . . 25.0 112.944 -175.701 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 75.2 m80 -82.29 69.63 9.07 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 107.37 -1.344 . . . . 25.0 107.37 167.056 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -61.6 -27.76 68.87 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.567 -0.742 . . . . 25.0 109.935 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.15 -25.62 67.13 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.93 -0.577 . . . . 25.0 111.388 176.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 82.7 p -123.44 29.84 6.49 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 111.814 0.302 . . . . 25.0 111.814 179.416 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.8 pp -61.17 156.6 17.95 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.383 0.611 . . . . 25.0 112.138 -176.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 44.8 t -149.34 155.09 39.95 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.858 -0.61 . . . . 25.0 109.472 -178.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -95.85 -10.76 28.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.565 0.697 . . . . 25.0 109.426 175.43 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -76.94 -17.26 80.01 Favored Glycine 0 CA--C 1.516 0.107 0 CA-C-N 115.948 -0.569 . . . . 25.0 114.289 -175.671 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -79.13 -2.31 40.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 122.327 -0.514 . . . . 25.0 112.113 -178.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 16.1 mt -89.38 152.43 3.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 106.511 -1.663 . . . . 25.0 106.511 178.336 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 7.4 p -50.12 -29.0 5.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 N-CA-C 115.025 1.491 . . . . 25.0 115.025 -177.103 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -66.94 -30.71 70.92 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.076 0.769 . . . . 25.0 113.076 -176.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . 52.51 -153.81 0.22 Allowed 'General case' 0 CA--C 1.538 0.497 0 O-C-N 123.583 0.552 . . . . 25.0 110.514 -178.073 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . 51.35 33.16 9.45 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 114.226 1.195 . . . . 25.0 114.226 175.711 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -76.83 72.61 3.44 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 120.988 0.423 . . . . 25.0 111.587 -179.163 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 12.0 t -69.66 144.73 94.21 Favored Pre-proline 0 C--N 1.322 -0.598 0 N-CA-C 109.16 -0.681 . . . . 25.0 109.16 178.223 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -74.17 167.9 26.08 Favored 'Trans proline' 0 C--O 1.237 0.468 0 C-N-CA 116.966 -1.556 . . . . 25.0 111.299 175.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.32 0 N-CA-C 105.405 -3.078 . . . . 25.0 105.405 178.698 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 206' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.506 0 CA-C-O 118.138 -0.934 . . . . 25.0 109.564 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 49.95 -174.04 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.008 0 O-C-N 124.885 1.366 . . . . 25.0 113.343 -173.437 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -111.83 -175.62 19.94 Favored Glycine 0 N--CA 1.453 -0.229 0 N-CA-C 111.765 -0.534 . . . . 25.0 111.765 -179.324 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 13.7 t -133.32 -179.58 5.6 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 106.608 -1.627 . . . . 25.0 106.608 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -77.65 128.24 33.77 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 107.653 -1.24 . . . . 25.0 107.653 177.032 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 128.88 -178.28 17.35 Favored Glycine 0 C--O 1.229 -0.172 0 N-CA-C 105.995 -2.842 . . . . 25.0 105.995 -169.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 27.8 m-20 -88.13 127.44 35.42 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 119.106 1.453 . . . . 25.0 110.246 -177.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -122.67 153.39 39.44 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 121.057 0.456 . . . . 50.0 111.572 -179.562 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 74.5 t -124.09 112.17 31.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 104.287 -2.486 . . . . 25.0 104.287 169.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.4 mt -121.69 135.41 54.96 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.236 -0.654 . . . . 25.0 109.236 -173.594 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 68.2 mt -130.69 123.54 54.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 108.022 -1.103 . . . . 25.0 108.022 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -88.26 160.78 30.95 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-O 121.652 0.584 . . . . 25.0 113.696 -178.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 18.6 t -87.28 -179.63 6.45 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 123.297 0.639 . . . . 25.0 110.03 178.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -77.5 -10.98 59.79 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 113.406 0.891 . . . . 25.0 113.406 -178.28 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 26.8 m -81.87 165.84 2.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 108.811 -0.811 . . . . 25.0 108.811 176.503 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.53 138.5 26.25 Favored Glycine 0 CA--C 1.518 0.272 0 N-CA-C 110.722 -0.951 . . . . 25.0 110.722 177.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -143.7 167.45 22.24 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.518 0.675 . . . . 50.0 112.308 -173.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -127.11 115.61 19.42 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 105.377 -2.082 . . . . 25.0 105.377 173.319 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 40.2 mt -129.17 116.77 41.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.372 0.605 . . . . 25.0 110.201 -173.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.6 p -104.83 137.3 42.83 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.138 -0.483 . . . . 25.0 110.001 178.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -91.02 -28.8 14.16 Favored Glycine 0 CA--C 1.519 0.294 0 N-CA-C 114.691 0.636 . . . . 25.0 114.691 -177.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.18 -164.4 54.42 Favored Glycine 0 C--O 1.243 0.7 0 C-N-CA 120.894 -0.67 . . . . 25.0 112.755 -178.086 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.35 169.1 17.0 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 121.994 -0.709 . . . . 25.0 109.349 177.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.66 166.68 41.15 Favored Glycine 0 C--O 1.24 0.502 0 CA-C-N 116.035 -0.529 . . . . 25.0 112.091 -179.517 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -83.58 113.08 20.58 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 107.829 -1.175 . . . . 25.0 107.829 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -119.31 163.38 17.24 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.649 0.611 . . . . 50.0 112.649 -173.316 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.6 ttt85 -130.05 124.37 32.69 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 105.169 -2.16 . . . . 25.0 105.169 169.543 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.5 mp -123.9 130.41 52.55 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 107.652 -1.24 . . . . 25.0 107.652 -177.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -116.49 137.24 52.33 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 104.751 -2.314 . . . . 25.0 104.751 170.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -96.02 -27.16 10.47 Favored Glycine 0 C--O 1.228 -0.261 0 C-N-CA 121.42 -0.419 . . . . 25.0 112.301 -178.131 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 73.86 -166.46 54.69 Favored Glycine 0 C--O 1.244 0.737 0 N-CA-C 110.935 -0.866 . . . . 25.0 110.935 -177.042 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.4 176.31 5.44 Favored 'General case' 0 C--O 1.246 0.918 0 O-C-N 122.114 -0.639 . . . . 25.0 109.727 177.623 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 81.81 164.45 33.61 Favored Glycine 0 C--O 1.239 0.439 0 N-CA-C 110.078 -1.209 . . . . 25.0 110.078 -177.005 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -81.48 131.72 35.29 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 107.098 -1.445 . . . . 25.0 107.098 -179.464 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -133.07 150.21 52.11 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 113.908 1.077 . . . . 50.0 113.908 -172.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.6 mp -111.07 126.43 54.81 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 106.724 -1.584 . . . . 25.0 106.724 176.207 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.7 mp -130.22 130.48 44.69 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.144 0.424 . . . . 25.0 112.144 -176.542 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -112.01 126.36 55.07 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 109.61 -0.515 . . . . 25.0 109.61 177.264 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -78.89 -52.85 4.78 Favored Glycine 0 C--O 1.249 1.038 0 C-N-CA 120.36 -0.924 . . . . 25.0 114.519 -177.646 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.92 -178.57 53.73 Favored Glycine 0 C--O 1.247 0.941 0 O-C-N 122.155 -0.615 . . . . 25.0 112.571 -178.577 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.56 160.73 16.01 Favored 'General case' 0 C--O 1.241 0.613 0 N-CA-C 109.447 -0.575 . . . . 25.0 109.447 177.452 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 87.21 168.77 45.11 Favored Glycine 0 N--CA 1.462 0.368 0 N-CA-C 109.38 -1.488 . . . . 25.0 109.38 -175.564 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.2 ptp85 -92.04 133.13 36.01 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 107.474 -1.306 . . . . 25.0 107.474 179.409 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -129.23 161.94 29.02 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.16 0.505 . . . . 50.0 111.533 -170.674 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -128.03 121.89 30.87 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 104.174 -2.528 . . . . 25.0 104.174 178.29 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.4 mp -124.82 99.78 6.31 Favored 'General case' 0 C--N 1.321 -0.631 0 O-C-N 123.366 0.416 . . . . 25.0 111.286 -173.435 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 16.7 m -87.97 112.56 22.72 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.706 -0.479 . . . . 25.0 109.706 -179.481 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -77.92 -43.37 14.33 Favored Glycine 0 C--O 1.24 0.521 0 C-N-CA 119.843 -1.17 . . . . 25.0 111.61 -178.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.38 -160.94 53.55 Favored Glycine 0 C--O 1.238 0.378 0 N-CA-C 111.077 -0.809 . . . . 25.0 111.077 -179.151 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 76.8 mt -62.05 153.84 28.57 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.123 0.487 . . . . 25.0 111.134 178.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 92.4 167.22 39.54 Favored Glycine 0 C--O 1.241 0.569 0 CA-C-N 115.209 -0.905 . . . . 25.0 111.046 -178.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -82.92 128.69 34.68 Favored 'General case' 0 C--O 1.218 -0.564 0 N-CA-C 106.29 -1.745 . . . . 25.0 106.29 177.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -126.14 145.34 50.4 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.874 -0.417 . . . . 50.0 109.874 -175.442 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.7 t -117.61 129.78 55.97 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 108.708 -0.849 . . . . 25.0 108.708 176.258 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -111.93 109.64 19.54 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 105.982 -1.859 . . . . 25.0 105.982 -178.32 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 59.9 ttt180 -112.79 145.82 39.91 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.81 -0.632 . . . . 25.0 111.987 -170.274 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 26.2 p90 -74.03 144.51 45.06 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 107.736 -1.209 . . . . 25.0 107.736 174.395 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -103.61 -39.97 6.5 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 106.494 -1.669 . . . . 25.0 106.494 170.317 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -128.34 161.11 30.2 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 106.698 -1.593 . . . . 25.0 106.698 175.499 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 7.6 ptt85 -64.45 -22.34 66.93 Favored 'General case' 0 C--O 1.215 -0.727 0 CA-C-O 121.463 0.649 . . . . 25.0 110.364 175.002 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -81.89 1.04 36.96 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.978 -0.556 . . . . 25.0 112.395 -175.549 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -61.21 -30.92 70.72 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.804 0.668 . . . . 25.0 112.804 -176.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 40.5 p -118.55 22.88 11.83 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 122.257 1.027 . . . . 25.0 112.325 -176.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 46.9 t-80 -89.67 145.64 25.08 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 115.356 -0.838 . . . . 25.0 112.853 -172.609 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -128.38 157.31 41.38 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 109.295 -0.632 . . . . 25.0 109.295 176.181 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 75.4 p -149.3 165.69 17.06 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 107.383 -1.34 . . . . 25.0 107.383 -178.534 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -70.27 -13.74 33.71 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 116.201 -2.066 . . . . 25.0 112.604 175.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 80.1 mt -83.16 -1.79 53.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.152 0.501 . . . . 25.0 110.3 177.557 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 143.27 151.82 5.55 Favored Glycine 0 N--CA 1.449 -0.49 0 CA-C-O 121.881 0.711 . . . . 25.0 112.959 178.222 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.94 130.95 34.78 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 107.994 -1.113 . . . . 25.0 107.994 176.386 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -120.66 14.12 11.73 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.887 -0.783 . . . . 25.0 108.887 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 89.7 p -73.63 169.17 17.83 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.079 -0.964 . . . . 25.0 109.069 179.411 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -111.96 158.3 19.67 Favored 'General case' 0 CA--C 1.51 -0.576 0 N-CA-C 113.032 0.753 . . . . 50.0 113.032 -175.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 9.6 mp -115.01 131.7 56.84 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 105.803 -1.925 . . . . 25.0 105.803 174.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 55.8 mt -104.43 144.32 14.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 N-CA-C 104.216 -2.512 . . . . 25.0 104.216 176.209 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -124.45 150.39 45.73 Favored 'General case' 0 C--N 1.316 -0.874 0 C-N-CA 123.421 0.688 . . . . 25.0 109.544 -174.571 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 53.49 50.36 17.52 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-O 122.12 0.962 . . . . 25.0 109.818 178.394 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -83.98 129.63 34.91 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.671 -1.15 . . . . 25.0 112.131 -175.495 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -102.33 101.09 17.67 Favored Pre-proline 0 C--N 1.324 -0.502 0 N-CA-C 108.997 -0.742 . . . . 25.0 108.997 177.623 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -68.22 -7.56 20.36 Favored 'Trans proline' 0 N--CA 1.474 0.336 0 N-CA-C 115.265 1.217 . . . . 25.0 115.265 -177.424 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 42.1 t -94.43 -9.93 34.05 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 111.965 0.357 . . . . 25.0 111.965 177.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -136.22 -34.56 0.79 Allowed 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 114.795 1.406 . . . . 25.0 114.795 -171.454 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -83.22 156.96 22.89 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.373 0.606 . . . . 50.0 111.791 -171.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 33.6 tptt -127.76 144.01 51.11 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.98 -0.555 . . . . 25.0 111.423 -175.527 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 73.4 mt -123.11 113.05 36.23 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 N-CA-C 109.026 -0.731 . . . . 25.0 109.026 178.43 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -97.66 108.67 21.43 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.622 -0.717 . . . . 25.0 109.716 -179.436 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.6 m -133.0 32.07 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 CA-C-O 122.178 0.99 . . . . 25.0 110.105 -177.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.23 -21.41 59.51 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 114.874 1.435 . . . . 25.0 114.874 -176.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.67 -20.56 64.45 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 113.515 0.931 . . . . 25.0 113.515 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 11.0 mt -88.96 -41.4 12.41 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.786 0.803 . . . . 25.0 109.067 -176.028 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 91.47 125.59 3.41 Favored Glycine 0 C--O 1.223 -0.534 0 CA-C-N 113.854 -1.521 . . . . 25.0 112.347 178.181 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -136.33 145.24 45.22 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 106.525 -1.657 . . . . 25.0 106.525 -179.246 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 7.6 tp -152.0 -18.77 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.776 0 N-CA-C 114.581 1.326 . . . . 25.0 114.581 178.564 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.562 ' HA3' HG22 ' A' ' 102' ' ' THR . . . -108.5 165.12 12.65 Favored Glycine 0 C--O 1.223 -0.535 0 N-CA-C 116.314 1.286 . . . . 25.0 116.314 -175.099 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 85.8 mt -62.9 -34.88 78.35 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 116.68 2.104 . . . . 25.0 116.68 -172.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 145.21 78.51 0.03 OUTLIER Glycine 0 C--O 1.222 -0.62 0 N-CA-C 118.555 2.182 . . . . 25.0 118.555 -178.271 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -114.24 -6.08 13.0 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 120.773 0.321 . . . . 25.0 110.364 175.355 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 82.68 -1.24 88.44 Favored Glycine 0 N--CA 1.459 0.224 0 N-CA-C 115.46 0.944 . . . . 25.0 115.46 -178.329 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -137.38 154.52 49.99 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.677 -0.49 . . . . 25.0 109.677 -179.448 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 57.3 48.22 15.36 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 114.24 1.2 . . . . 25.0 114.24 175.595 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 76.83 30.26 56.22 Favored Glycine 0 C--O 1.237 0.291 0 C-N-CA 120.573 -0.823 . . . . 25.0 112.234 173.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.562 HG22 ' HA3' ' A' ' 94' ' ' GLY . 18.5 p -134.19 141.78 47.18 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 105.042 -2.207 . . . . 25.0 105.042 179.103 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 31.8 mt -89.41 151.5 22.0 Favored 'General case' 0 C--O 1.215 -0.744 0 N-CA-C 115.947 1.832 . . . . 25.0 115.947 -170.551 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -133.04 149.26 52.2 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 104.677 -2.342 . . . . 25.0 104.677 166.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 7.2 p -131.41 150.82 34.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 109.465 -0.569 . . . . 25.0 109.465 -175.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 35.7 m -143.0 157.08 44.88 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 105.948 -1.871 . . . . 25.0 105.948 177.489 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 95.8 mt -129.12 160.27 33.36 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 110.015 -0.365 . . . . 25.0 110.015 -178.41 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 28.4 t -75.15 163.47 27.52 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 105.871 -1.9 . . . . 25.0 105.871 169.513 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.88 -6.57 12.65 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 113.913 1.079 . . . . 25.0 113.913 -177.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 18.2 p30 -111.36 -1.78 15.86 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.082 -0.71 . . . . 25.0 109.082 -179.242 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 70.37 1.78 37.81 Favored Glycine 0 CA--C 1.519 0.29 0 CA-C-N 115.935 -0.575 . . . . 25.0 113.55 -177.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 95.0 mt -82.86 -18.93 38.6 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 117.377 0.588 . . . . 25.0 112.204 -173.194 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -125.54 147.35 49.3 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.556 -0.905 . . . . 25.0 108.556 -179.255 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 33.3 m -135.35 141.86 45.65 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.93 -0.767 . . . . 25.0 108.93 -173.19 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -130.33 138.72 50.58 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 107.692 -1.225 . . . . 25.0 107.692 -178.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.6 mp -128.19 144.71 51.14 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.524 0.202 . . . . 25.0 111.189 -176.407 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 46.1 mmtt -127.44 153.93 45.68 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 106.296 -1.742 . . . . 25.0 106.296 179.42 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 18.8 t -149.93 -32.14 0.2 Allowed 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 115.166 1.543 . . . . 25.0 115.166 177.682 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.422 ' HA ' ' HA ' ' A' ' 127' ' ' SER . 0.2 OUTLIER 52.36 49.81 19.69 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-O 122.518 1.152 . . . . 25.0 109.876 179.852 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -55.62 116.02 2.66 Favored 'General case' 0 C--O 1.241 0.644 0 N-CA-C 115.315 1.598 . . . . 25.0 115.315 -170.621 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -119.9 8.21 11.05 Favored 'General case' 0 CA--C 1.511 -0.519 0 N-CA-C 113.856 1.058 . . . . 25.0 113.856 -176.619 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -81.11 -37.88 28.17 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 115.017 -0.992 . . . . 25.0 110.837 -178.212 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -130.41 -3.56 4.32 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 113.893 1.072 . . . . 25.0 113.893 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -129.97 -48.7 1.12 Allowed 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 116.068 1.877 . . . . 25.0 116.068 -177.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 75.51 33.28 52.99 Favored Glycine 0 C--O 1.237 0.342 0 N-CA-C 110.393 -1.083 . . . . 25.0 110.393 -175.301 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 -138.1 160.54 39.13 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 107.94 -1.133 . . . . 25.0 107.94 -176.349 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.422 ' HA ' ' HA ' ' A' ' 119' ' ' TYR . 18.9 t -91.32 141.23 28.99 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.343 0.592 . . . . 25.0 110.508 179.206 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -140.26 151.65 45.29 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 106.019 -1.845 . . . . 25.0 106.019 178.017 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -141.18 150.26 42.51 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.554 -0.906 . . . . 25.0 108.554 179.261 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 5.5 mp -128.01 159.73 34.11 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.267 -1.012 . . . . 25.0 108.267 178.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -142.38 149.21 39.08 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.03 -1.1 . . . . 25.0 108.03 177.207 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 36.9 mt -135.11 138.82 44.15 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 105.623 -1.991 . . . . 25.0 105.623 179.403 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -126.71 150.44 49.04 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 106.275 -1.75 . . . . 25.0 106.275 176.455 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 73.25 46.41 27.08 Favored Glycine 0 C--O 1.228 -0.227 0 C-N-CA 120.129 -1.034 . . . . 25.0 110.754 -179.276 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 57.6 m-80 -89.19 135.95 33.28 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 113.982 1.104 . . . . 25.0 113.982 -174.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 70.2 m80 -84.16 64.83 8.46 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 107.3 -1.371 . . . . 25.0 107.3 166.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -62.49 -26.12 68.37 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 115.983 -0.553 . . . . 25.0 110.318 -179.066 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -62.24 -24.65 67.37 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 115.997 -0.547 . . . . 25.0 111.516 176.656 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 70.4 p -121.77 29.43 7.14 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 120.51 0.195 . . . . 25.0 111.518 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.1 pp -57.94 149.93 21.73 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.674 0.749 . . . . 25.0 112.283 -176.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 30.5 t -154.11 155.03 34.65 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 106.926 -1.509 . . . . 25.0 106.926 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -90.57 2.92 55.36 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 120.834 0.349 . . . . 25.0 111.017 -179.55 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -63.01 -14.79 54.57 Favored Glycine 0 CA--C 1.521 0.423 0 N-CA-C 115.67 1.028 . . . . 25.0 115.67 -176.548 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -65.35 -23.23 66.94 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 113.464 0.913 . . . . 25.0 113.464 -178.167 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 67.0 mt -72.83 125.15 31.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 120.903 0.382 . . . . 25.0 110.889 -170.076 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 10.8 p -60.7 -27.6 41.1 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 N-CA-C 113.296 0.85 . . . . 25.0 113.296 -178.608 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -71.33 -19.06 62.35 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 111.596 0.221 . . . . 25.0 111.596 179.389 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . 55.72 -156.74 0.25 Allowed 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.369 0.668 . . . . 25.0 110.586 -178.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . 53.74 31.16 12.38 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.799 0.84 . . . . 25.0 113.089 179.478 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -65.83 151.44 46.67 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.074 -0.512 . . . . 25.0 110.093 -179.497 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 8.8 t -65.67 142.81 98.38 Favored Pre-proline 0 CA--C 1.546 0.79 0 N-CA-C 109.128 -0.693 . . . . 25.0 109.128 179.599 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -78.77 175.8 10.58 Favored 'Trans proline' 0 C--N 1.348 0.549 0 O-C-N 121.756 0.345 . . . . 25.0 112.808 -179.389 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.338 0 N-CA-C 105.172 -3.171 . . . . 25.0 105.172 176.162 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 206' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.652 0 N-CA-C 109.854 -0.424 . . . . 25.0 109.854 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.6 pm0 -156.27 157.95 36.67 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 106.036 -1.838 . . . . 25.0 106.036 -178.116 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -107.76 -168.6 21.68 Favored Glycine 0 C--O 1.229 -0.187 0 O-C-N 123.448 0.467 . . . . 25.0 113.791 -176.697 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.443 HG23 ' H ' ' A' ' 6' ' ' GLY . 6.6 t -124.2 -175.27 3.2 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 105.479 -2.045 . . . . 25.0 105.479 177.731 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -81.94 3.26 27.07 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 120.837 -1.164 . . . . 25.0 113.054 -177.513 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.443 ' H ' HG23 ' A' ' 4' ' ' THR . . . -85.37 -166.53 42.03 Favored Glycine 0 CA--C 1.52 0.402 0 N-CA-C 109.438 -1.465 . . . . 25.0 109.438 171.19 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 61.2 m-20 -86.83 132.93 33.7 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 118.352 1.076 . . . . 25.0 108.499 177.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -128.67 149.14 50.8 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 120.88 0.371 . . . . 50.0 111.79 -178.219 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 97.8 t -125.86 112.6 31.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 104.779 -2.304 . . . . 25.0 104.779 171.478 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 89.6 mt -121.61 147.97 45.15 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.738 0.304 . . . . 25.0 111.254 -174.569 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 41.2 mm -125.68 132.37 70.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 106.066 -1.828 . . . . 25.0 106.066 178.385 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -85.87 177.26 49.53 Favored Glycine 0 C--O 1.227 -0.324 0 C-N-CA 121.027 -0.606 . . . . 25.0 111.954 179.12 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 72.7 p -117.44 178.56 4.34 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.312 -0.996 . . . . 25.0 108.312 179.222 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -71.82 -19.9 61.92 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 114.549 1.314 . . . . 25.0 114.549 -175.261 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.8 m -79.6 166.1 2.64 Favored 'Isoleucine or valine' 0 C--O 1.24 0.592 0 N-CA-C 109.418 -0.586 . . . . 25.0 109.418 178.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.75 138.23 26.87 Favored Glycine 0 N--CA 1.452 -0.26 0 N-CA-C 110.269 -1.133 . . . . 25.0 110.269 177.43 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -140.44 159.47 42.12 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.409 0.623 . . . . 50.0 112.455 -174.538 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -118.78 108.57 15.02 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 104.952 -2.24 . . . . 25.0 104.952 172.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 78.7 mt -115.41 124.54 72.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 108.77 -0.826 . . . . 25.0 108.77 -172.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 57.3 p -116.37 133.16 56.33 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.262 0.553 . . . . 25.0 110.315 179.4 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -91.96 -29.38 11.72 Favored Glycine 0 C--O 1.228 -0.245 0 CA-C-N 115.932 -0.576 . . . . 25.0 112.864 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.48 -157.42 53.49 Favored Glycine 0 C--O 1.243 0.691 0 C-N-CA 120.956 -0.64 . . . . 25.0 111.769 -178.089 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.52 -179.41 2.99 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 121.788 -0.83 . . . . 25.0 109.351 177.582 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.77 168.08 36.14 Favored Glycine 0 C--O 1.244 0.751 0 C-N-CA 121.111 -0.566 . . . . 25.0 112.208 -178.428 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.447 ' HB3' HH12 ' A' ' 45' ' ' ARG . 39.1 m-20 -88.43 114.2 24.8 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.539 -0.911 . . . . 25.0 108.539 -178.526 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -118.88 162.52 18.36 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 113.749 1.018 . . . . 50.0 113.749 -173.513 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.7 ttp180 -129.23 116.55 19.33 Favored 'General case' 0 CA--C 1.508 -0.642 0 N-CA-C 104.797 -2.298 . . . . 25.0 104.797 169.618 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 71.5 mt -112.91 147.37 37.2 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 108.446 -0.946 . . . . 25.0 108.446 -176.017 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -142.7 137.76 30.09 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 104.851 -2.277 . . . . 25.0 104.851 175.418 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -101.05 -21.86 11.39 Favored Glycine 0 N--CA 1.449 -0.438 0 O-C-N 123.359 0.412 . . . . 25.0 112.23 -178.303 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 66.16 -156.67 49.94 Favored Glycine 0 C--O 1.242 0.598 0 C-N-CA 120.78 -0.724 . . . . 25.0 111.448 -176.11 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.96 172.88 10.12 Favored 'General case' 0 C--O 1.241 0.638 0 O-C-N 121.949 -0.736 . . . . 25.0 110.532 178.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.97 166.82 36.52 Favored Glycine 0 C--O 1.234 0.11 0 N-CA-C 110.61 -0.996 . . . . 25.0 110.61 -177.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -84.06 132.9 34.68 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 107.705 -1.22 . . . . 25.0 107.705 -178.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -135.83 154.74 51.09 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 114.458 1.281 . . . . 50.0 114.458 -171.734 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.4 mp -113.11 129.04 56.64 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 106.521 -1.659 . . . . 25.0 106.521 173.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.1 mp -126.1 106.98 9.97 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.914 0.388 . . . . 25.0 110.992 -178.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -95.13 107.99 20.08 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 108.863 -0.791 . . . . 25.0 108.863 -178.36 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -67.96 -47.73 58.36 Favored Glycine 0 C--O 1.248 0.984 0 N-CA-C 115.542 0.977 . . . . 25.0 115.542 -174.242 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.29 -176.84 53.96 Favored Glycine 0 C--O 1.236 0.256 0 O-C-N 122.313 -0.522 . . . . 25.0 113.003 -178.377 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.12 161.9 12.63 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 122.043 -0.68 . . . . 25.0 110.309 178.262 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.01 167.74 42.4 Favored Glycine 0 C--O 1.241 0.575 0 N-CA-C 110.483 -1.047 . . . . 25.0 110.483 -177.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.6 ptp85 -88.32 125.78 34.86 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 106.736 -1.579 . . . . 25.0 106.736 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -127.24 162.75 25.47 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 121.147 0.499 . . . . 50.0 111.367 -172.259 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.447 HH12 ' HB3' ' A' ' 25' ' ' ASP . 1.0 OUTLIER -127.53 123.04 34.9 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 103.891 -2.633 . . . . 25.0 103.891 177.782 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.1 mp -121.76 115.85 23.43 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.694 -0.484 . . . . 25.0 109.694 -172.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.4 m -108.12 117.32 33.84 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.925 -0.769 . . . . 25.0 108.925 -178.174 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -80.76 -39.0 14.68 Favored Glycine 0 C--O 1.237 0.343 0 C-N-CA 119.608 -1.282 . . . . 25.0 113.885 -176.519 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.34 -166.26 54.22 Favored Glycine 0 C--O 1.242 0.611 0 N-CA-C 110.652 -0.979 . . . . 25.0 110.652 -176.477 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.6 mt -65.44 156.82 31.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 122.521 -0.399 . . . . 25.0 109.945 177.253 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 93.46 168.97 38.76 Favored Glycine 0 C--O 1.245 0.811 0 N-CA-C 110.804 -0.918 . . . . 25.0 110.804 -178.332 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.89 125.5 32.06 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 106.779 -1.563 . . . . 25.0 106.779 178.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -125.14 145.96 49.71 Favored 'General case' 0 C--N 1.317 -0.845 0 O-C-N 122.07 -0.394 . . . . 50.0 110.49 -174.477 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.3 t -117.04 132.02 56.79 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.555 -0.906 . . . . 25.0 108.555 173.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -107.68 124.84 50.59 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 105.338 -2.097 . . . . 25.0 105.338 -178.012 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 13.4 ttt180 -127.19 149.06 50.15 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 114.577 1.325 . . . . 25.0 114.577 -163.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -75.93 165.09 25.48 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.243 -1.344 . . . . 25.0 109.245 171.137 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -134.19 -28.44 1.33 Allowed 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 109.393 -0.595 . . . . 25.0 109.393 166.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 39.5 tp -141.93 160.38 40.32 Favored 'General case' 0 C--O 1.218 -0.573 0 N-CA-C 107.215 -1.402 . . . . 25.0 107.215 178.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -64.12 -21.21 66.45 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 121.482 -0.761 . . . . 25.0 112.296 177.461 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -84.05 10.62 9.57 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.157 0.503 . . . . 25.0 111.707 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.64 -40.69 84.15 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 113.84 1.052 . . . . 25.0 113.84 -178.699 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 70.6 m -140.88 98.76 3.46 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.542 -0.91 . . . . 25.0 108.542 -179.014 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 15.7 t-80 -147.49 162.63 38.67 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 107.921 -1.14 . . . . 25.0 107.921 -171.341 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -135.99 159.04 42.9 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 107.945 -1.131 . . . . 25.0 107.945 171.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 88.6 p -154.73 169.71 9.74 Favored Pre-proline 0 C--N 1.323 -0.575 0 N-CA-C 106.102 -1.814 . . . . 25.0 106.102 -177.193 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -70.59 -7.83 22.22 Favored 'Trans proline' 0 CA--C 1.536 0.622 0 C-N-CA 115.53 -2.514 . . . . 25.0 113.68 177.427 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.7 mp -80.07 -7.18 58.73 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 109.948 -0.39 . . . . 25.0 109.948 176.472 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 135.85 174.17 13.28 Favored Glycine 0 N--CA 1.45 -0.395 0 CA-C-O 121.701 0.612 . . . . 25.0 112.047 178.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.1 t -82.66 145.93 29.37 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.922 -0.77 . . . . 25.0 108.922 177.182 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -132.42 17.06 4.44 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 106.787 -1.56 . . . . 25.0 106.787 174.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 88.4 p -77.01 150.57 35.81 Favored 'General case' 0 CA--C 1.516 -0.346 0 N-CA-C 109.091 -0.707 . . . . 25.0 109.091 -179.358 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -92.55 162.06 14.35 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 123.35 0.406 . . . . 50.0 111.608 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.1 tp -125.7 131.05 52.65 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.809 -1.182 . . . . 25.0 107.809 178.287 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 24.5 mt -108.08 141.52 23.11 Favored 'Isoleucine or valine' 0 C--O 1.238 0.478 0 CA-C-O 121.447 0.642 . . . . 25.0 109.318 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -126.85 155.93 42.16 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.078 -1.419 . . . . 25.0 107.459 -177.269 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 55.47 36.0 26.23 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.111 0.964 . . . . 25.0 111.322 176.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.463 ' HB3' ' HB2' ' A' ' 137' ' ' ALA . 47.9 t80 -83.42 123.24 29.49 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.142 -0.936 . . . . 25.0 109.37 178.025 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -100.77 110.25 60.17 Favored Pre-proline 0 C--N 1.318 -0.766 0 N-CA-C 106.664 -1.606 . . . . 25.0 106.664 177.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -68.1 -18.59 45.67 Favored 'Trans proline' 0 C--O 1.222 -0.283 0 N-CA-C 115.868 1.449 . . . . 25.0 115.868 -171.515 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.3 t -86.49 -11.97 50.23 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.339 0.496 . . . . 25.0 112.339 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 83.7 mm-40 -132.23 -36.19 1.16 Allowed 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 115.101 1.519 . . . . 25.0 115.101 -171.394 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -84.85 161.21 19.99 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.693 -0.484 . . . . 50.0 109.693 -176.201 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -141.23 156.99 45.83 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 122.266 -0.272 . . . . 25.0 111.602 -179.563 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 19.3 mt -123.01 121.31 62.84 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 CA-C-O 120.861 0.362 . . . . 25.0 110.435 178.18 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -95.38 122.28 37.93 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.251 -1.018 . . . . 25.0 108.251 176.565 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 24.5 m -129.75 26.05 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 CA-C-O 121.409 0.623 . . . . 25.0 112.345 -176.019 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 35.9 t -57.5 -34.79 69.43 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 114.544 1.313 . . . . 25.0 114.544 -175.456 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.98 -18.45 61.98 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 113.065 0.765 . . . . 25.0 113.065 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 12.8 mt -86.58 -29.89 22.27 Favored 'General case' 0 C--O 1.217 -0.605 0 N-CA-C 105.316 -2.105 . . . . 25.0 105.316 178.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 79.31 30.74 44.5 Favored Glycine 0 C--O 1.225 -0.449 0 CA-C-N 114.097 -1.41 . . . . 25.0 116.232 167.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -62.93 128.36 35.53 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.411 -1.329 . . . . 25.0 107.411 177.389 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 10.6 tp -126.19 -25.73 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 112.611 0.597 . . . . 25.0 112.611 -172.094 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.517 ' HA3' HG22 ' A' ' 102' ' ' THR . . . -98.23 151.04 19.54 Favored Glycine 0 CA--C 1.508 -0.35 0 C-N-CA 120.08 -1.057 . . . . 25.0 111.523 178.782 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 82.0 mt -62.83 -28.39 69.98 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 113.97 1.1 . . . . 25.0 113.97 -175.429 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 150.9 72.34 0.01 OUTLIER Glycine 0 C--O 1.223 -0.571 0 N-CA-C 118.167 2.027 . . . . 25.0 118.167 177.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -98.62 -5.07 32.53 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 107.956 -1.127 . . . . 25.0 107.956 173.012 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 76.19 7.62 84.73 Favored Glycine 0 C--O 1.223 -0.548 0 N-CA-C 116.549 1.38 . . . . 25.0 116.549 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.435 ' HA ' ' HB3' ' A' ' 119' ' ' TYR . 98.3 m-85 -142.37 154.01 44.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 117.842 0.821 . . . . 25.0 111.662 179.425 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 49.64 57.43 6.53 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 114.568 1.321 . . . . 25.0 114.568 171.627 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.1 18.21 61.4 Favored Glycine 0 C--O 1.24 0.529 0 C-N-CA 120.147 -1.025 . . . . 25.0 113.042 174.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.517 HG22 ' HA3' ' A' ' 94' ' ' GLY . 16.3 p -132.66 144.88 50.63 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 104.85 -2.278 . . . . 25.0 104.85 177.457 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 86.8 mt -96.67 156.19 16.45 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 117.453 2.39 . . . . 25.0 117.453 -167.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -132.7 156.17 47.5 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 104.67 -2.344 . . . . 25.0 104.67 169.379 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 11.0 p -126.36 151.57 32.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 108.782 -0.822 . . . . 25.0 108.782 -178.369 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 61.4 p -152.59 170.07 21.11 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 107.75 -1.204 . . . . 25.0 107.75 -178.504 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 44.9 mt -130.67 163.97 26.05 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.624 -0.51 . . . . 25.0 109.624 -178.073 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 99.7 p -76.62 170.08 17.08 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 106.796 -1.557 . . . . 25.0 106.796 170.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -56.34 -34.39 66.54 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 113.595 0.961 . . . . 25.0 113.595 -176.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -99.8 2.09 43.72 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.085 0.469 . . . . 25.0 111.052 -175.261 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 74.27 0.6 57.86 Favored Glycine 0 C--O 1.226 -0.38 0 C-N-CA 121.298 -0.477 . . . . 25.0 112.319 -174.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 74.9 mt -71.32 -6.16 37.85 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 114.31 1.226 . . . . 25.0 114.31 -175.32 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 79.6 mtt180 -149.6 150.99 33.06 Favored 'General case' 0 CA--C 1.509 -0.608 0 N-CA-C 108.181 -1.044 . . . . 25.0 108.181 173.215 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 17.9 m -119.25 144.31 46.83 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 106.216 -1.772 . . . . 25.0 106.216 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -132.43 147.82 52.39 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.133 -0.692 . . . . 25.0 109.133 179.487 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.6 mp -128.22 145.89 50.9 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 107.864 -1.161 . . . . 25.0 107.864 178.037 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 38.8 tttt -138.43 138.45 38.19 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.91 -0.404 . . . . 25.0 109.91 179.114 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.3 t -98.47 -17.22 18.88 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 121.455 0.645 . . . . 25.0 110.862 178.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.435 ' HB3' ' HA ' ' A' ' 99' ' ' TYR . 0.1 OUTLIER 49.3 43.93 23.25 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 122.57 1.176 . . . . 25.0 113.816 174.599 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.5 149.65 45.61 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 114.493 -1.23 . . . . 25.0 108.235 176.516 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.448 ' HA ' ' HA2' ' A' ' 125' ' ' GLY . . . -138.41 13.51 2.78 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 107.818 -1.178 . . . . 25.0 107.818 177.761 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.13 -31.9 70.5 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 113.082 -1.872 . . . . 25.0 112.227 -169.52 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -133.86 100.17 4.67 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.108 -0.701 . . . . 25.0 109.108 177.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 51.54 35.18 13.9 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 114.164 1.172 . . . . 25.0 114.164 177.244 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.448 ' HA2' ' HA ' ' A' ' 121' ' ' ALA . . . 69.68 12.83 67.88 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 115.193 0.837 . . . . 25.0 115.193 178.176 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 12.2 mtm180 -75.97 125.91 30.01 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.659 -0.867 . . . . 25.0 108.659 178.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 31.1 p -129.4 151.94 49.48 Favored 'General case' 0 C--O 1.242 0.665 0 N-CA-C 114.356 1.243 . . . . 25.0 114.356 -176.664 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -86.4 141.12 29.39 Favored 'General case' 0 C--O 1.244 0.769 0 CA-C-N 115.092 -0.958 . . . . 25.0 109.93 176.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -144.15 145.51 32.16 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 107.456 -1.313 . . . . 25.0 107.456 176.33 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 1.9 mt -129.84 165.14 22.6 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 123.33 0.652 . . . . 25.0 109.46 -177.64 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -142.28 150.71 41.21 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.32 0.581 . . . . 25.0 110.102 176.437 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 55.7 mt -132.9 149.32 52.26 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 103.82 -2.659 . . . . 25.0 103.82 176.09 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.11 179.89 6.31 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 120.001 -0.68 . . . . 25.0 110.197 179.155 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -80.8 56.43 4.78 Favored Glycine 0 C--O 1.224 -0.524 0 CA-C-O 122.288 0.938 . . . . 25.0 112.178 -176.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -109.62 -165.15 0.99 Allowed 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 103.953 -2.61 . . . . 25.0 103.953 179.442 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -67.36 -3.8 9.21 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 121.572 0.701 . . . . 25.0 110.913 174.346 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.463 ' HB2' ' HB3' ' A' ' 78' ' ' PHE . . . -59.89 -27.21 66.52 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.154 0.582 . . . . 25.0 111.036 172.426 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -68.62 -18.41 64.3 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 111.753 0.279 . . . . 25.0 111.753 -179.493 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 76.1 p -112.49 35.58 3.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.84 0.352 . . . . 25.0 110.054 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -63.23 150.44 43.07 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.748 0.785 . . . . 25.0 112.625 -179.463 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 37.9 t -97.85 156.72 16.46 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.115 -1.068 . . . . 25.0 108.115 176.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.0 -17.84 64.54 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.562 0.696 . . . . 25.0 110.328 176.372 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -73.1 -22.03 79.34 Favored Glycine 0 CA--C 1.522 0.47 0 CA-C-N 115.383 -0.826 . . . . 25.0 114.654 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -90.56 27.92 1.62 Allowed 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 118.387 1.093 . . . . 25.0 111.859 -177.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 8.0 mt -124.86 158.88 32.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 106.596 -1.631 . . . . 25.0 106.596 179.659 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 2.9 p -57.65 -16.89 6.44 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.759 0 N-CA-C 113.995 1.109 . . . . 25.0 113.995 -177.68 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -59.6 -35.42 74.28 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 111.963 0.356 . . . . 25.0 111.963 178.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . 54.16 -161.19 0.14 Allowed 'General case' 0 CA--C 1.545 0.768 0 O-C-N 123.77 0.669 . . . . 25.0 110.109 -174.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . 62.88 -26.26 0.06 Allowed 'General case' 0 N--CA 1.484 1.249 0 N-CA-C 117.041 2.238 . . . . 25.0 117.041 178.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -70.0 165.29 22.12 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.397 0.618 . . . . 25.0 111.086 179.361 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 12.1 t -61.4 144.77 91.68 Favored Pre-proline 0 C--O 1.242 0.689 0 CA-C-N 115.282 -0.872 . . . . 25.0 110.335 178.265 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -72.9 174.96 11.06 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 118.504 -0.531 . . . . 25.0 111.606 176.307 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.271 0 N-CA-C 106.196 -2.761 . . . . 25.0 106.196 177.92 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 206' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 118.26 -0.876 . . . . 25.0 109.486 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 64.09 163.57 0.13 Allowed 'General case' 0 N--CA 1.477 0.918 0 O-C-N 124.935 1.397 . . . . 25.0 111.862 -176.075 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -93.12 167.58 29.28 Favored Glycine 0 N--CA 1.454 -0.119 0 C-N-CA 121.382 -0.437 . . . . 25.0 113.803 -176.159 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.455 HG23 ' H ' ' A' ' 6' ' ' GLY . 6.6 t -96.91 -175.33 3.24 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 106.407 -1.701 . . . . 25.0 106.407 176.102 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -84.26 4.22 31.86 Favored 'General case' 0 C--N 1.322 -0.606 0 O-C-N 120.963 -1.086 . . . . 25.0 112.809 -178.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.455 ' H ' HG23 ' A' ' 4' ' ' THR . . . -85.28 -166.13 41.37 Favored Glycine 0 C--N 1.319 -0.38 0 N-CA-C 108.951 -1.659 . . . . 25.0 108.951 171.201 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -88.86 130.48 35.39 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.791 -1.188 . . . . 25.0 107.791 177.13 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -124.7 150.25 46.35 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 120.895 0.379 . . . . 50.0 111.616 -177.276 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 89.2 t -127.62 106.42 15.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 105.417 -2.068 . . . . 25.0 105.417 171.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 93.9 mt -122.73 143.89 49.52 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.43 -0.35 . . . . 25.0 110.69 -176.121 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.41 ' HA ' ' HB2' ' A' ' 29' ' ' ASP . 81.6 mt -130.79 125.38 58.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 106.883 -1.525 . . . . 25.0 106.883 177.573 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -81.27 158.59 40.14 Favored Glycine 0 N--CA 1.451 -0.361 0 CA-C-O 121.682 0.601 . . . . 25.0 113.369 -178.133 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 89.1 p -82.36 -179.36 7.39 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 123.319 0.647 . . . . 25.0 110.148 178.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -73.15 -14.35 61.35 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 115.112 1.523 . . . . 25.0 115.112 -176.291 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.7 m -85.39 167.86 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 108.945 -0.761 . . . . 25.0 108.945 178.088 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.85 137.11 25.11 Favored Glycine 0 N--CA 1.454 -0.154 0 C-N-CA 120.426 -0.893 . . . . 25.0 111.301 178.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -142.01 161.52 37.77 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.144 0.497 . . . . 50.0 111.566 -175.314 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -119.11 117.83 29.77 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 105.341 -2.096 . . . . 25.0 105.341 172.19 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 44.1 mt -126.4 118.11 50.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.374 0.607 . . . . 25.0 109.861 -175.156 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 73.6 p -108.66 141.6 40.38 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.682 -0.858 . . . . 25.0 108.682 177.685 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -94.68 -23.91 19.61 Favored Glycine 0 C--N 1.323 -0.158 0 N-CA-C 114.542 0.577 . . . . 25.0 114.542 -176.675 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.65 -159.43 53.2 Favored Glycine 0 C--O 1.246 0.847 0 N-CA-C 111.39 -0.684 . . . . 25.0 111.39 -176.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.42 178.64 3.33 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 122.129 -0.63 . . . . 25.0 109.587 177.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.75 166.84 37.98 Favored Glycine 0 C--O 1.242 0.595 0 C-N-CA 121.111 -0.566 . . . . 25.0 112.08 -178.384 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -91.73 112.28 24.14 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 107.479 -1.304 . . . . 25.0 107.479 -178.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -117.64 164.39 15.02 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 114.67 1.359 . . . . 50.0 114.67 -170.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 67.1 ttt180 -124.02 124.72 43.18 Favored 'General case' 0 CA--C 1.507 -0.684 0 N-CA-C 104.297 -2.483 . . . . 25.0 104.297 167.242 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 76.5 mt -125.12 113.05 17.2 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 107.115 -1.439 . . . . 25.0 107.115 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.41 ' HB2' ' HA ' ' A' ' 11' ' ' ILE . 6.7 m-20 -106.32 136.51 45.92 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 105.174 -2.158 . . . . 25.0 105.174 175.352 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -90.19 -27.4 20.91 Favored Glycine 0 C--N 1.322 -0.242 0 N-CA-C 112.174 -0.37 . . . . 25.0 112.174 -178.455 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 72.84 -159.57 53.67 Favored Glycine 0 C--O 1.243 0.704 0 N-CA-C 110.639 -0.984 . . . . 25.0 110.639 -177.017 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.93 172.39 11.69 Favored 'General case' 0 C--O 1.244 0.778 0 N-CA-C 109.538 -0.541 . . . . 25.0 109.538 178.089 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 82.33 166.73 38.82 Favored Glycine 0 C--O 1.239 0.461 0 N-CA-C 110.067 -1.213 . . . . 25.0 110.067 -176.586 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -85.4 129.44 34.81 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 107.518 -1.289 . . . . 25.0 107.518 -178.564 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -131.77 153.95 49.58 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 114.235 1.198 . . . . 50.0 114.235 -171.432 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.0 mp -113.89 127.71 56.09 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 106.72 -1.585 . . . . 25.0 106.72 175.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.6 mp -127.09 122.21 33.66 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.699 0.285 . . . . 25.0 111.281 -176.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -112.51 113.13 25.15 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 109.873 -0.418 . . . . 25.0 109.873 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.44 -47.8 75.09 Favored Glycine 0 C--O 1.248 1.006 0 N-CA-C 115.594 0.998 . . . . 25.0 115.594 -175.257 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.14 179.46 51.98 Favored Glycine 0 CA--C 1.519 0.331 0 N-CA-C 111.46 -0.656 . . . . 25.0 111.46 -176.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.71 153.54 16.45 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 122.09 -0.653 . . . . 25.0 109.885 179.345 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.84 169.77 39.96 Favored Glycine 0 C--O 1.242 0.62 0 N-CA-C 111.015 -0.834 . . . . 25.0 111.015 -176.29 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.5 ptt180 -94.69 127.51 40.72 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 106.425 -1.694 . . . . 25.0 106.425 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -127.6 168.52 14.89 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 116.278 -0.419 . . . . 50.0 111.853 -170.224 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.78 115.3 19.82 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 106.276 -1.75 . . . . 25.0 106.276 176.309 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.7 mp -113.29 101.1 9.09 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.632 -0.507 . . . . 25.0 109.632 -173.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.1 m -94.58 112.57 24.32 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.677 -0.49 . . . . 25.0 109.677 -178.037 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -75.18 -42.4 28.94 Favored Glycine 0 C--O 1.242 0.628 0 C-N-CA 119.44 -1.362 . . . . 25.0 113.482 -176.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.428 ' H ' ' HB2' ' A' ' 77' ' ' ASP . . . 74.48 -163.59 54.45 Favored Glycine 0 C--O 1.243 0.673 0 N-CA-C 111.141 -0.784 . . . . 25.0 111.141 -177.537 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.1 mt -63.85 155.95 28.98 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.907 0.384 . . . . 25.0 110.394 177.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 89.99 168.67 43.07 Favored Glycine 0 C--O 1.242 0.648 0 N-CA-C 110.973 -0.851 . . . . 25.0 110.973 -178.642 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -80.06 132.5 35.98 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 107.154 -1.424 . . . . 25.0 107.154 179.102 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -130.61 143.69 50.92 Favored 'General case' 0 C--N 1.317 -0.827 0 O-C-N 121.941 -0.475 . . . . 50.0 110.659 -176.267 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.1 t -120.3 131.67 54.99 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.437 -0.949 . . . . 25.0 108.437 176.532 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -113.18 116.5 29.9 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 105.596 -2.002 . . . . 25.0 105.596 -177.302 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 56.0 ttt85 -126.56 150.17 48.99 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.903 0.859 . . . . 25.0 112.528 -168.105 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 45.3 p90 -67.95 150.36 48.6 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.79 -1.095 . . . . 25.0 110.47 176.084 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -114.41 -29.24 6.94 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 107.881 -1.155 . . . . 25.0 107.881 167.385 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -131.73 163.03 29.08 Favored 'General case' 0 C--O 1.214 -0.811 0 N-CA-C 104.84 -2.282 . . . . 25.0 104.84 176.601 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 29.3 ptt180 -71.27 -19.84 62.29 Favored 'General case' 0 C--O 1.211 -0.943 0 CA-C-N 119.243 0.929 . . . . 25.0 110.416 174.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -95.16 12.46 28.71 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.733 0.778 . . . . 25.0 111.654 -175.134 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -57.3 -32.36 66.57 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.102 -0.954 . . . . 25.0 113.53 -178.453 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 46.3 p -133.16 85.44 2.21 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.415 -0.958 . . . . 25.0 108.415 179.177 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 43.8 t-80 -140.23 147.62 40.3 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.64 -0.709 . . . . 25.0 111.445 -170.235 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 47.8 mtt-85 -119.24 155.93 30.84 Favored 'General case' 0 C--O 1.22 -0.494 0 N-CA-C 108.147 -1.057 . . . . 25.0 108.147 175.324 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.5 t -150.03 155.73 37.71 Favored Pre-proline 0 C--N 1.318 -0.776 0 N-CA-C 104.595 -2.372 . . . . 25.0 104.595 179.266 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -67.33 -13.77 40.53 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 115.498 -2.535 . . . . 25.0 112.23 174.403 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 74.4 mt -86.2 -1.32 57.34 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 112.205 0.446 . . . . 25.0 112.205 178.504 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 144.84 164.9 10.85 Favored Glycine 0 C--O 1.225 -0.439 0 N-CA-C 111.947 -0.461 . . . . 25.0 111.947 -179.683 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 14.9 t -114.75 142.91 45.88 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.489 0.662 . . . . 25.0 111.113 -178.357 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -126.06 12.83 7.79 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 107.759 -1.2 . . . . 25.0 107.759 -178.099 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 78.2 p -66.15 140.43 58.2 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.281 -0.872 . . . . 25.0 109.575 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -93.51 158.49 15.68 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.815 0.34 . . . . 50.0 110.39 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 9.5 mp -114.49 132.53 56.25 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 105.34 -2.096 . . . . 25.0 105.34 173.211 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 26.8 mt -107.85 140.56 25.79 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 N-CA-C 105.269 -2.122 . . . . 25.0 105.269 176.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 62.1 mt -128.27 156.11 43.53 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.054 -0.975 . . . . 25.0 109.322 -172.085 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.428 ' HB2' ' H ' ' A' ' 49' ' ' GLY . 32.3 m-20 55.34 38.5 30.42 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.769 0.827 . . . . 25.0 110.126 -178.433 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -79.38 117.72 20.61 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-O 121.949 0.881 . . . . 25.0 110.544 -178.076 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -76.49 143.66 72.72 Favored Pre-proline 0 C--N 1.317 -0.825 0 CA-C-N 114.699 -1.137 . . . . 25.0 108.567 179.327 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -76.38 -12.05 18.93 Favored 'Trans proline' 0 C--N 1.341 0.157 0 N-CA-C 115.739 1.4 . . . . 25.0 115.739 -173.074 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.5 m -149.12 17.11 0.95 Allowed 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 113.321 0.86 . . . . 25.0 113.321 -177.213 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -132.18 -9.15 3.38 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 112.024 0.379 . . . . 25.0 112.024 -178.448 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -113.87 150.46 33.59 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.154 -1.054 . . . . 50.0 108.154 -178.673 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 48.1 tttm -136.94 145.42 44.21 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.022 0.379 . . . . 25.0 112.022 -170.386 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 58.2 mt -117.48 124.98 73.74 Favored 'Isoleucine or valine' 0 C--O 1.238 0.472 0 CA-C-O 121.069 0.461 . . . . 25.0 109.839 -178.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -111.71 114.22 27.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.135 0.493 . . . . 25.0 110.565 -178.614 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 15.6 m -127.53 36.35 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 CA-C-O 121.876 0.846 . . . . 25.0 110.96 -177.715 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.43 -15.26 24.82 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 115.166 1.543 . . . . 25.0 115.166 -177.82 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -76.26 -4.77 43.74 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 113.38 0.882 . . . . 25.0 113.38 -179.456 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 23.1 mt -104.13 -67.5 0.89 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.655 0.741 . . . . 25.0 109.623 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 84.55 159.08 29.58 Favored Glycine 0 C--O 1.223 -0.538 0 N-CA-C 107.169 -2.372 . . . . 25.0 107.169 -171.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -142.82 160.9 39.43 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 118.067 0.934 . . . . 25.0 109.184 -176.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 7.3 tp -114.69 -11.15 12.12 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 CA-C-O 121.204 0.526 . . . . 25.0 111.348 -177.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -160.81 178.67 36.7 Favored Glycine 0 C--O 1.227 -0.31 0 C-N-CA 120.604 -0.808 . . . . 25.0 112.282 179.208 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 64.0 mt -124.4 1.18 8.35 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 115.907 1.818 . . . . 25.0 115.907 -173.539 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -115.83 -31.53 1.91 Allowed Glycine 0 CA--C 1.527 0.832 0 N-CA-C 123.089 3.996 . . . . 25.0 123.089 -168.005 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 -90.9 -28.59 18.01 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 120.398 2.099 . . . . 25.0 114.306 -169.372 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 83.08 1.94 90.58 Favored Glycine 0 CA--C 1.51 -0.274 0 C-N-CA 121.081 -0.581 . . . . 25.0 112.154 -175.296 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.461 ' HA ' ' HB3' ' A' ' 119' ' ' TYR . 97.9 m-85 -140.61 162.47 35.3 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 106.504 -1.665 . . . . 25.0 106.504 -179.399 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 59.61 42.52 17.13 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 124.041 0.838 . . . . 25.0 112.27 179.318 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 72.91 20.87 80.06 Favored Glycine 0 CA--C 1.511 -0.208 0 C-N-CA 120.875 -0.678 . . . . 25.0 113.371 174.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 28.2 p -119.96 143.64 47.91 Favored 'General case' 0 CA--C 1.51 -0.568 0 N-CA-C 107.546 -1.279 . . . . 25.0 107.546 179.117 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -77.33 159.65 29.38 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 113.66 0.985 . . . . 25.0 113.66 -175.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -158.42 161.99 37.54 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 106.122 -1.807 . . . . 25.0 106.122 163.345 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 8.7 p -129.66 153.75 39.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 107.976 -1.12 . . . . 25.0 107.976 178.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 43.7 m -146.37 161.78 39.61 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.086 -1.079 . . . . 25.0 108.086 179.169 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 81.9 mt -125.95 160.28 30.41 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.663 -0.865 . . . . 25.0 108.663 178.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 40.1 p -80.06 166.96 21.01 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.208 0.527 . . . . 25.0 110.3 176.509 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -70.95 -2.37 15.02 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 114.09 1.145 . . . . 25.0 114.09 -179.4 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.4 p30 -116.74 0.52 12.59 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.032 -1.099 . . . . 25.0 108.032 179.367 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 68.32 7.45 52.11 Favored Glycine 0 C--O 1.227 -0.332 0 CA-C-N 115.855 -0.612 . . . . 25.0 113.958 179.405 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 82.6 mt -92.65 -12.04 32.59 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 112.937 0.717 . . . . 25.0 112.937 -174.188 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 20.8 mtt-85 -135.25 153.48 51.9 Favored 'General case' 0 CA--C 1.509 -0.602 0 N-CA-C 108.632 -0.877 . . . . 25.0 108.632 -169.135 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 7.3 m -133.41 147.87 51.77 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.015 -0.735 . . . . 25.0 109.015 -175.544 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -131.86 145.15 51.37 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 107.859 -1.163 . . . . 25.0 107.859 178.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.6 mp -129.1 144.25 51.14 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 107.008 -1.479 . . . . 25.0 107.008 -179.243 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 31.8 mttt -130.88 160.27 34.96 Favored 'General case' 0 C--O 1.22 -0.464 0 N-CA-C 112.245 0.461 . . . . 25.0 112.245 -179.577 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 48.2 t -145.37 -41.78 0.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.28 -1.378 . . . . 25.0 107.28 170.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.461 ' HB3' ' HA ' ' A' ' 99' ' ' TYR . 1.4 t80 42.76 63.31 1.49 Allowed 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 114.352 1.241 . . . . 25.0 114.352 171.755 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -62.69 130.14 43.65 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.045 -0.98 . . . . 25.0 109.772 -176.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -143.71 13.9 1.73 Allowed 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 122.41 1.1 . . . . 25.0 110.918 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -76.28 -33.6 59.1 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 113.619 -1.628 . . . . 25.0 111.996 -173.196 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -161.26 -37.51 0.05 OUTLIER 'General case' 0 C--O 1.22 -0.454 0 CA-C-N 114.736 -1.12 . . . . 25.0 110.658 -179.403 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 -84.14 -26.97 28.46 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.483 0.919 . . . . 25.0 113.483 -176.013 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 59.54 40.87 96.86 Favored Glycine 0 N--CA 1.46 0.286 0 C-N-CA 121.204 -0.522 . . . . 25.0 113.179 178.562 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 12.4 mmt85 -115.97 114.17 24.27 Favored 'General case' 0 CA--C 1.509 -0.614 0 CA-C-O 121.124 0.488 . . . . 25.0 110.885 -176.108 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.434 ' HA ' ' HA ' ' A' ' 119' ' ' TYR . 13.7 m -77.24 98.11 5.04 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.946 0.879 . . . . 25.0 111.306 178.811 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -94.29 119.22 32.75 Favored 'General case' 0 C--N 1.309 -1.174 0 N-CA-C 107.048 -1.464 . . . . 25.0 107.048 178.057 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -146.36 152.9 39.84 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.868 -1.16 . . . . 25.0 107.868 179.489 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 2.2 mt -128.58 160.39 32.55 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.504 -0.924 . . . . 25.0 108.504 178.596 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -136.1 148.17 48.15 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 107.461 -1.311 . . . . 25.0 107.461 175.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 24.8 mt -131.49 146.85 52.44 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 103.006 -2.961 . . . . 25.0 103.006 176.456 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -143.95 154.86 43.75 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 107.422 -1.325 . . . . 25.0 107.422 179.045 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 67.01 47.17 66.72 Favored Glycine 0 CA--C 1.516 0.154 0 N-CA-C 109.667 -1.373 . . . . 25.0 109.667 -175.309 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -100.69 148.35 24.97 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 115.325 1.602 . . . . 25.0 115.325 -170.739 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 70.0 m80 -83.07 46.66 1.14 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.444 -1.253 . . . . 25.0 109.012 169.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -61.04 -29.88 69.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.308 -0.405 . . . . 25.0 111.393 -176.58 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -62.24 -23.15 66.51 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 116.366 -0.379 . . . . 25.0 111.847 178.372 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 69.6 p -127.68 29.59 5.45 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 122.235 0.214 . . . . 25.0 111.165 -178.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 4.0 pp -63.01 161.27 13.4 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 112.84 0.682 . . . . 25.0 112.84 -175.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 16.0 t -143.2 161.84 37.19 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.879 -0.786 . . . . 25.0 108.879 177.399 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -93.91 170.29 9.66 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.031 0.444 . . . . 25.0 110.722 -178.257 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 91.35 -3.97 79.92 Favored Glycine 0 C--O 1.226 -0.371 0 N-CA-C 115.63 1.012 . . . . 25.0 115.63 174.241 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -76.19 40.31 0.21 Allowed 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 113.546 0.943 . . . . 25.0 113.546 -179.438 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 1.4 pp -137.09 160.43 36.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.146 0.498 . . . . 25.0 111.057 -177.446 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 9.1 p -59.66 -24.25 28.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 N-CA-C 115.106 1.521 . . . . 25.0 115.106 -176.122 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -80.78 -24.01 38.91 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 113.621 0.971 . . . . 25.0 113.621 -174.227 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . 54.86 -164.88 0.11 Allowed 'General case' 0 CA--C 1.548 0.876 0 O-C-N 123.867 0.729 . . . . 25.0 110.109 -172.506 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . 49.78 25.16 1.44 Allowed 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 115.799 1.777 . . . . 25.0 115.799 176.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -78.18 97.96 5.67 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 122.033 -0.417 . . . . 25.0 111.612 -177.134 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 12.8 t -68.26 145.54 97.52 Favored Pre-proline 0 C--N 1.321 -0.641 0 N-CA-C 107.263 -1.384 . . . . 25.0 107.263 173.656 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -72.45 163.52 38.33 Favored 'Trans proline' 0 C--O 1.239 0.547 0 C-N-CA 116.09 -2.14 . . . . 25.0 111.297 176.578 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.408 0 N-CA-C 105.022 -3.231 . . . . 25.0 105.022 179.191 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 206' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.862 -0.421 . . . . 25.0 109.862 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 19.8 pm0 -66.24 157.77 30.62 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.771 0.32 . . . . 25.0 111.293 179.008 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -111.84 -175.42 19.91 Favored Glycine 0 N--CA 1.455 -0.095 0 N-CA-C 109.244 -1.543 . . . . 25.0 109.244 176.022 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.3 t -134.06 177.83 7.43 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.377 -0.971 . . . . 25.0 108.377 -178.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -76.09 142.91 41.57 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.022 -1.103 . . . . 25.0 108.022 178.291 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 107.96 -174.43 19.16 Favored Glycine 0 C--O 1.229 -0.168 0 N-CA-C 106.393 -2.683 . . . . 25.0 106.393 -169.043 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -91.32 135.55 33.73 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 119.252 1.526 . . . . 25.0 110.577 -176.418 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -123.43 149.15 45.4 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 121.011 0.434 . . . . 50.0 110.996 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 68.0 t -129.14 104.35 10.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 105.206 -2.146 . . . . 25.0 105.206 171.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 89.1 mt -121.56 137.4 54.75 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.416 -0.356 . . . . 25.0 110.213 -175.023 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 75.9 mt -126.35 124.6 65.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 106.441 -1.689 . . . . 25.0 106.441 178.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -81.85 158.22 38.53 Favored Glycine 0 N--CA 1.448 -0.543 0 CA-C-O 121.801 0.667 . . . . 25.0 113.058 -178.156 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 77.8 p -88.36 -179.95 6.21 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.827 -0.687 . . . . 25.0 109.316 178.011 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -74.33 -12.84 60.65 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 115.0 1.481 . . . . 25.0 115.0 -175.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.5 m -84.36 168.17 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.076 -0.713 . . . . 25.0 109.076 177.362 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.84 138.96 27.83 Favored Glycine 0 N--CA 1.452 -0.263 0 N-CA-C 110.637 -0.985 . . . . 25.0 110.637 177.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -143.01 161.97 36.71 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.42 0.629 . . . . 50.0 112.495 -174.429 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -111.1 122.56 48.18 Favored 'General case' 0 C--O 1.239 0.518 0 N-CA-C 105.019 -2.215 . . . . 25.0 105.019 170.538 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 78.2 mt -127.04 138.19 55.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 107.658 -1.238 . . . . 25.0 107.658 -172.423 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 92.2 p -139.9 156.26 46.78 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 121.796 -0.565 . . . . 25.0 109.852 177.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -105.92 -34.99 3.09 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 121.345 -0.455 . . . . 25.0 112.648 178.055 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 70.7 -155.9 53.08 Favored Glycine 0 C--O 1.244 0.755 0 N-CA-C 110.131 -1.188 . . . . 25.0 110.131 -176.61 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.44 167.08 20.37 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 118.157 0.979 . . . . 25.0 109.175 178.045 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 88.54 171.6 46.27 Favored Glycine 0 C--O 1.243 0.699 0 CA-C-N 116.122 -0.49 . . . . 25.0 113.075 178.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -85.78 117.97 24.98 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 107.631 -1.248 . . . . 25.0 107.631 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -123.44 155.93 36.5 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 112.691 0.626 . . . . 50.0 112.691 -174.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -124.51 118.6 26.98 Favored 'General case' 0 CA--C 1.505 -0.773 0 N-CA-C 105.088 -2.19 . . . . 25.0 105.088 172.436 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 64.4 mt -122.77 124.01 42.37 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 108.674 -0.861 . . . . 25.0 108.674 -174.678 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -116.63 139.45 50.51 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 105.873 -1.899 . . . . 25.0 105.873 173.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -96.33 -29.47 8.36 Favored Glycine 0 C--N 1.321 -0.263 0 C-N-CA 121.584 -0.341 . . . . 25.0 113.016 -179.437 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 70.05 -158.52 53.47 Favored Glycine 0 C--O 1.245 0.828 0 N-CA-C 110.608 -0.997 . . . . 25.0 110.608 -176.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.31 173.26 9.78 Favored 'General case' 0 C--O 1.243 0.757 0 CA-C-O 121.27 0.557 . . . . 25.0 109.708 178.234 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 81.07 164.56 32.43 Favored Glycine 0 C--O 1.239 0.411 0 N-CA-C 110.081 -1.208 . . . . 25.0 110.081 -176.718 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -84.21 132.77 34.63 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 107.507 -1.294 . . . . 25.0 107.507 -178.651 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -132.85 149.27 52.28 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 113.555 0.946 . . . . 50.0 113.555 -172.361 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.4 mp -108.13 128.78 54.99 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 105.543 -2.021 . . . . 25.0 105.543 176.168 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.7 mp -130.52 107.02 8.9 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 113.292 0.849 . . . . 25.0 113.292 -177.107 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -100.46 104.83 16.24 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-O 121.012 0.435 . . . . 25.0 110.232 178.127 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -63.14 -44.61 96.91 Favored Glycine 0 C--O 1.249 1.046 0 N-CA-C 115.789 1.075 . . . . 25.0 115.789 -175.22 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.46 175.52 43.31 Favored Glycine 0 CA--C 1.518 0.224 0 O-C-N 121.887 -0.772 . . . . 25.0 112.045 -178.411 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.68 152.63 11.84 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 122.014 -0.698 . . . . 25.0 111.429 -179.021 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.13 162.72 37.55 Favored Glycine 0 C--O 1.241 0.569 0 N-CA-C 110.634 -0.986 . . . . 25.0 110.634 -177.136 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.6 ptp85 -81.13 134.43 35.64 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 107.737 -1.208 . . . . 25.0 107.737 -179.389 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -131.4 165.11 24.23 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 116.352 -0.385 . . . . 50.0 110.282 -174.015 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.7 mpt_? -128.21 121.27 29.0 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 104.084 -2.562 . . . . 25.0 104.084 178.693 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.6 mp -124.11 98.41 5.77 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 123.435 0.46 . . . . 25.0 111.591 -170.584 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.3 m -91.52 111.04 22.38 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.208 -0.664 . . . . 25.0 109.208 179.489 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -73.46 -41.48 44.58 Favored Glycine 0 C--O 1.243 0.671 0 C-N-CA 119.756 -1.212 . . . . 25.0 113.657 -176.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.446 ' H ' ' HB2' ' A' ' 77' ' ' ASP . . . 76.32 -165.26 53.86 Favored Glycine 0 C--O 1.247 0.922 0 N-CA-C 111.506 -0.638 . . . . 25.0 111.506 -177.182 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.9 mt -65.59 158.06 28.14 Favored 'General case' 0 C--O 1.237 0.446 0 N-CA-C 109.863 -0.421 . . . . 25.0 109.863 177.608 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 88.76 169.59 44.86 Favored Glycine 0 C--O 1.243 0.712 0 N-CA-C 110.976 -0.85 . . . . 25.0 110.976 -178.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.83 131.5 36.49 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 107.483 -1.302 . . . . 25.0 107.483 179.343 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -130.55 140.21 50.47 Favored 'General case' 0 C--N 1.316 -0.854 0 O-C-N 121.884 -0.51 . . . . 50.0 110.176 -176.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.3 t -118.26 126.28 51.83 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.875 0.845 . . . . 25.0 108.805 176.391 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -106.58 122.57 46.58 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 105.326 -2.102 . . . . 25.0 105.326 -178.673 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 58.0 ttt-85 -124.56 145.06 49.79 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 114.193 1.183 . . . . 25.0 114.193 -167.454 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 34.3 p90 -70.92 155.9 40.25 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.182 -0.917 . . . . 25.0 109.77 173.319 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -127.95 -23.2 3.39 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 116.074 -0.512 . . . . 25.0 110.321 168.258 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -135.07 165.98 24.11 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 107.772 -1.196 . . . . 25.0 107.772 179.494 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -71.21 -29.62 65.38 Favored 'General case' 0 C--O 1.205 -1.269 0 N-CA-C 109.299 -0.63 . . . . 25.0 109.299 172.135 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -98.79 18.48 16.89 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 121.866 0.841 . . . . 25.0 110.938 -176.547 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -55.49 -37.66 68.11 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.893 -1.048 . . . . 25.0 111.1 -178.414 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 75.2 m -137.02 117.73 13.99 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 105.884 -1.895 . . . . 25.0 105.884 172.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -153.42 157.99 40.76 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.001 -0.74 . . . . 25.0 109.001 -173.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 58.0 mtt85 -132.52 159.38 39.58 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 118.832 0.742 . . . . 25.0 111.466 178.692 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 87.2 p -151.07 164.51 19.98 Favored Pre-proline 0 C--N 1.322 -0.622 0 N-CA-C 105.828 -1.916 . . . . 25.0 105.828 179.341 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -70.11 -13.56 33.94 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 116.21 -2.06 . . . . 25.0 112.723 176.348 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 81.6 mt -84.22 -2.95 57.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.87 0.367 . . . . 25.0 111.204 178.643 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 145.63 160.66 8.74 Favored Glycine 0 N--CA 1.452 -0.277 0 CA-C-O 121.923 0.735 . . . . 25.0 113.333 179.279 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.4 t -96.19 143.43 27.3 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.389 -0.597 . . . . 25.0 109.389 179.421 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -126.89 17.42 7.33 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 106.073 -1.825 . . . . 25.0 106.073 176.294 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 29.7 t -73.98 147.18 43.24 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 114.935 -1.03 . . . . 25.0 110.476 -179.177 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -85.61 159.72 19.78 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.75 -0.659 . . . . 50.0 109.888 175.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.6 mp -122.0 124.26 43.58 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 106.612 -1.625 . . . . 25.0 106.612 175.04 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 24.7 mt -104.76 141.16 20.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 108.215 -1.031 . . . . 25.0 108.215 178.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -127.62 158.3 37.89 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.985 -1.007 . . . . 25.0 109.596 -174.096 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.446 ' HB2' ' H ' ' A' ' 49' ' ' GLY . 36.0 m-20 56.77 39.21 29.76 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.237 1.015 . . . . 25.0 111.231 178.583 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -81.34 117.7 22.03 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-N 115.518 -0.765 . . . . 25.0 111.874 -178.131 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -73.75 153.85 89.29 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 114.782 -1.099 . . . . 25.0 111.477 -178.688 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -74.31 -17.61 21.29 Favored 'Trans proline' 0 C--N 1.346 0.433 0 N-CA-C 116.111 1.543 . . . . 25.0 116.111 -176.696 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 12.0 t -153.06 12.13 0.48 Allowed 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 114.071 1.137 . . . . 25.0 114.071 -177.093 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -121.52 -7.76 9.14 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 112.161 0.43 . . . . 25.0 112.161 -176.158 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -113.79 148.52 36.41 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.844 -0.799 . . . . 50.0 108.844 -177.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 38.8 tptt -125.66 142.75 51.35 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.516 -0.311 . . . . 25.0 111.086 -174.681 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 58.6 mt -117.6 106.43 19.94 Favored 'Isoleucine or valine' 0 C--O 1.244 0.814 0 N-CA-C 108.026 -1.102 . . . . 25.0 108.026 175.269 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -96.05 110.64 22.85 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.241 -1.022 . . . . 25.0 108.241 177.404 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -137.42 31.04 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 114.969 -1.014 . . . . 25.0 109.737 -175.659 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.7 t -59.68 -33.47 71.62 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 113.97 1.1 . . . . 25.0 113.97 -175.483 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -80.83 0.59 34.31 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 115.339 1.607 . . . . 25.0 115.339 -174.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 42.9 mt -76.66 -52.55 9.43 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 105.746 -1.946 . . . . 25.0 105.746 175.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 79.66 145.54 3.56 Favored Glycine 0 C--O 1.226 -0.355 0 CA-C-N 113.372 -1.74 . . . . 25.0 112.101 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -146.95 157.86 43.75 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 106.897 -1.52 . . . . 25.0 106.897 -179.433 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 6.5 tp -113.16 -6.88 11.92 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 CA-C-O 121.186 0.517 . . . . 25.0 111.726 -176.127 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -157.92 166.04 33.85 Favored Glycine 0 C--O 1.227 -0.303 0 C-N-CA 120.427 -0.892 . . . . 25.0 112.163 178.692 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 63.0 mt -109.76 -2.28 17.45 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 115.79 1.774 . . . . 25.0 115.79 -172.427 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -161.24 81.51 0.14 Allowed Glycine 0 C--O 1.224 -0.476 0 N-CA-C 117.591 1.796 . . . . 25.0 117.591 -174.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -167.81 -40.02 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.011 0.524 . . . . 25.0 110.593 171.286 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 91.05 4.59 68.82 Favored Glycine 0 N--CA 1.461 0.303 0 N-CA-C 114.972 0.749 . . . . 25.0 114.972 174.275 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -137.53 163.07 32.05 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.058 -1.09 . . . . 25.0 108.058 179.478 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 56.01 37.07 28.44 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 113.061 0.763 . . . . 25.0 113.061 177.692 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 82.73 4.71 89.96 Favored Glycine 0 N--CA 1.453 -0.198 0 C-N-CA 121.202 -0.523 . . . . 25.0 114.1 176.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 43.7 p -100.02 142.62 31.26 Favored 'General case' 0 C--O 1.214 -0.791 0 N-CA-C 107.376 -1.342 . . . . 25.0 107.376 178.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 24.2 mt -79.66 160.23 26.41 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 114.602 1.334 . . . . 25.0 114.602 -176.154 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -154.39 156.79 37.47 Favored 'General case' 0 C--O 1.239 0.512 0 N-CA-C 104.339 -2.467 . . . . 25.0 104.339 167.523 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 9.2 p -137.14 155.43 32.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.061 -0.718 . . . . 25.0 109.061 -179.067 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 77.4 p -141.98 141.74 32.91 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 102.839 -3.023 . . . . 25.0 102.839 170.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -118.76 153.45 34.4 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 116.861 2.171 . . . . 25.0 116.861 -172.227 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 7.7 t -68.66 44.76 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 115.862 1.801 . . . . 25.0 115.862 175.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -58.43 -48.41 80.79 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 118.461 0.573 . . . . 25.0 110.9 -177.539 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -101.9 28.47 5.69 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.513 0.673 . . . . 25.0 109.961 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 78.83 15.79 80.13 Favored Glycine 0 CA--C 1.521 0.463 0 C-N-CA 120.922 -0.656 . . . . 25.0 111.744 -176.21 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 57.2 mt -64.45 -23.64 67.35 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 115.779 1.77 . . . . 25.0 115.779 -174.574 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 78.9 mtt85 90.74 146.93 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 127.518 2.327 . . . . 25.0 105.808 -174.55 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 47.9 m -100.61 133.92 44.34 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 107.057 -1.46 . . . . 25.0 107.057 -175.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -131.05 142.88 50.35 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.953 -0.758 . . . . 25.0 108.953 179.429 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 7.9 mp -119.77 134.68 55.14 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 103.426 -2.805 . . . . 25.0 103.426 175.138 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -131.53 153.85 49.4 Favored 'General case' 0 CA--C 1.51 -0.577 0 O-C-N 123.139 0.274 . . . . 25.0 110.557 -177.076 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 81.0 p -142.98 -17.64 0.67 Allowed 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 114.918 1.451 . . . . 25.0 114.918 176.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER 26.47 56.4 0.06 Allowed 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 118.235 2.68 . . . . 25.0 118.235 -176.095 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -77.16 135.6 38.55 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 109.18 -0.674 . . . . 25.0 109.18 173.67 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -144.39 32.31 1.2 Allowed 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 104.241 -2.503 . . . . 25.0 104.241 174.478 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -120.35 -105.83 0.38 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 113.528 -1.669 . . . . 25.0 110.063 -166.454 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -69.68 -30.82 68.57 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.761 0.282 . . . . 25.0 111.761 -178.629 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 96.9 mm-40 -96.72 -33.57 11.67 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.724 -0.39 . . . . 25.0 111.243 -178.283 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 72.16 15.54 76.71 Favored Glycine 0 CA--C 1.516 0.143 0 N-CA-C 110.911 -0.875 . . . . 25.0 110.911 -177.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 26.9 mmt180 -147.43 122.61 10.19 Favored 'General case' 0 CA--C 1.51 -0.574 0 N-CA-C 109.129 -0.693 . . . . 25.0 109.129 -175.252 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 59.7 p -72.4 127.68 33.3 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 107.593 -1.262 . . . . 25.0 107.593 173.633 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -105.21 103.59 13.16 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 106.928 -1.508 . . . . 25.0 106.928 177.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -133.87 149.82 51.35 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.438 -0.801 . . . . 25.0 109.55 -169.148 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -130.45 164.66 24.29 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 120.69 0.281 . . . . 25.0 111.745 -176.217 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -137.84 147.93 44.99 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.3 -1.0 . . . . 25.0 108.3 175.262 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 4.1 mt -138.26 138.51 38.51 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 104.515 -2.402 . . . . 25.0 104.515 176.483 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -120.97 149.25 42.94 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.386 -0.598 . . . . 25.0 109.386 -176.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 57.71 39.28 90.98 Favored Glycine 0 N--CA 1.463 0.452 0 N-CA-C 114.813 0.685 . . . . 25.0 114.813 173.327 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -91.0 164.59 13.92 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 122.157 -0.613 . . . . 25.0 112.52 -174.47 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 78.3 m80 -77.83 55.51 1.4 Allowed 'General case' 0 C--O 1.216 -0.676 0 CA-C-N 114.959 -1.018 . . . . 25.0 109.302 169.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -57.76 -30.15 65.39 Favored 'General case' 0 C--O 1.22 -0.458 0 N-CA-C 112.151 0.426 . . . . 25.0 112.151 -175.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -69.39 -25.45 64.16 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 112.972 0.73 . . . . 25.0 112.972 179.444 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 61.8 p -126.72 -4.04 6.51 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 116.076 1.88 . . . . 25.0 116.076 -175.123 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.8 pp -77.5 161.88 27.58 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 121.734 -0.604 . . . . 25.0 110.656 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 84.3 p -126.19 161.56 27.42 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.091 -0.504 . . . . 25.0 109.808 177.647 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.54 -13.48 62.36 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 116.481 -0.327 . . . . 25.0 111.722 178.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -63.11 -19.48 61.58 Favored Glycine 0 CA--C 1.518 0.252 0 CA-C-N 116.49 -0.323 . . . . 25.0 113.169 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -72.63 -14.27 61.56 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 122.355 -0.497 . . . . 25.0 111.172 177.461 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 58.2 mt -97.13 140.38 17.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 105.057 -2.201 . . . . 25.0 105.057 178.418 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 8.3 p -55.56 -31.82 29.21 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 N-CA-C 113.271 0.841 . . . . 25.0 113.271 -178.639 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -77.38 -25.63 51.09 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 113.516 0.932 . . . . 25.0 113.516 -179.473 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . 52.74 -156.44 0.17 Allowed 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.242 0.617 . . . . 25.0 111.784 -176.565 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . 61.1 -25.54 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 120.02 3.341 . . . . 25.0 120.02 174.143 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -60.41 133.97 56.61 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 113.911 1.078 . . . . 25.0 113.911 -174.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 14.3 t -83.89 151.99 61.81 Favored Pre-proline 0 C--N 1.324 -0.536 0 N-CA-C 107.847 -1.168 . . . . 25.0 107.847 175.497 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -71.45 165.28 32.95 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 116.694 -1.738 . . . . 25.0 112.753 176.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.476 0 N-CA-C 107.039 -2.424 . . . . 25.0 107.039 179.222 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 206' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 118.352 -0.832 . . . . 25.0 109.321 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 67.82 160.65 0.17 Allowed 'General case' 0 N--CA 1.478 0.956 0 O-C-N 125.062 1.476 . . . . 25.0 111.072 -176.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -92.66 -166.18 38.79 Favored Glycine 0 N--CA 1.452 -0.275 0 CA-C-O 121.509 0.505 . . . . 25.0 113.45 -177.074 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.442 HG23 ' H ' ' A' ' 6' ' ' GLY . 8.9 t -131.28 -176.72 4.11 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 106.09 -1.819 . . . . 25.0 106.09 178.241 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -83.21 2.9 33.42 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 114.079 1.14 . . . . 25.0 114.079 -175.385 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.442 ' H ' HG23 ' A' ' 4' ' ' THR . . . -87.4 -173.57 48.37 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 108.417 -1.873 . . . . 25.0 108.417 171.675 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 49.8 m-20 -81.04 133.15 35.43 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 118.611 1.205 . . . . 25.0 108.415 178.063 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -127.03 149.4 49.92 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 112.153 0.427 . . . . 50.0 112.153 -176.743 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 86.1 t -130.07 104.11 9.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 105.334 -2.098 . . . . 25.0 105.334 170.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 93.3 mt -121.52 138.35 54.33 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.976 -0.379 . . . . 25.0 109.976 -176.216 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.428 ' HA ' ' HB2' ' A' ' 29' ' ' ASP . 75.0 mt -131.06 125.5 57.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 108.454 -0.943 . . . . 25.0 108.454 -179.087 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -89.73 174.46 41.13 Favored Glycine 0 CA--C 1.519 0.288 0 CA-C-O 121.569 0.538 . . . . 25.0 113.669 -178.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.6 t -108.3 -169.61 1.54 Allowed 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 123.951 0.9 . . . . 25.0 109.41 -178.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -74.29 -17.59 60.83 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 113.551 0.945 . . . . 25.0 113.551 -175.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 36.0 m -75.25 162.55 4.37 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 N-CA-C 109.491 -0.559 . . . . 25.0 109.491 178.099 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.38 135.43 19.65 Favored Glycine 0 C--O 1.229 -0.163 0 N-CA-C 110.396 -1.081 . . . . 25.0 110.396 178.703 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -138.82 164.82 28.63 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 112.435 0.531 . . . . 75.0 112.435 -173.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -129.95 115.78 17.66 Favored 'General case' 0 C--O 1.238 0.487 0 N-CA-C 106.835 -1.543 . . . . 25.0 106.835 176.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 53.5 mt -131.12 115.7 30.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.412 0.625 . . . . 25.0 110.72 -175.718 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 81.2 p -101.33 138.72 37.97 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.531 -0.914 . . . . 25.0 108.531 176.057 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -88.72 -30.62 14.77 Favored Glycine 0 C--O 1.227 -0.334 0 N-CA-C 114.901 0.72 . . . . 25.0 114.901 -178.266 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.22 -161.85 49.82 Favored Glycine 0 C--O 1.244 0.738 0 CA-C-N 117.862 0.831 . . . . 25.0 111.833 -177.606 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.15 179.03 2.98 Favored 'General case' 0 C--N 1.322 -0.606 0 O-C-N 121.935 -0.744 . . . . 25.0 109.873 177.32 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.47 166.47 34.69 Favored Glycine 0 C--O 1.243 0.661 0 N-CA-C 111.672 -0.571 . . . . 25.0 111.672 -177.44 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -88.21 125.12 34.47 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 106.492 -1.67 . . . . 25.0 106.492 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -132.06 161.23 33.74 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 114.88 1.437 . . . . 50.0 114.88 -171.754 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -123.6 121.82 36.56 Favored 'General case' 0 CA--C 1.509 -0.614 0 N-CA-C 106.193 -1.78 . . . . 25.0 106.193 167.213 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -122.97 104.96 9.57 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.259 -1.015 . . . . 25.0 108.259 -178.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.428 ' HB2' ' HA ' ' A' ' 11' ' ' ILE . 9.6 m-20 -102.82 133.59 47.64 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 107.196 -1.409 . . . . 25.0 107.196 178.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -96.01 -26.44 11.45 Favored Glycine 0 C--O 1.226 -0.38 0 CA-C-N 116.263 -0.426 . . . . 25.0 113.194 -177.438 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 70.76 -159.56 53.8 Favored Glycine 0 CA--C 1.522 0.515 0 C-N-CA 120.794 -0.717 . . . . 25.0 111.616 -177.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.25 174.99 8.01 Favored 'General case' 0 C--O 1.245 0.828 0 O-C-N 121.776 -0.838 . . . . 25.0 110.137 179.026 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.82 168.37 39.17 Favored Glycine 0 C--O 1.237 0.289 0 N-CA-C 109.8 -1.32 . . . . 25.0 109.8 -176.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -83.12 139.07 33.41 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 107.216 -1.401 . . . . 25.0 107.216 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -140.42 151.7 45.11 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 113.494 0.924 . . . . 50.0 113.494 -172.492 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.7 mp -112.1 126.45 55.19 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 107.02 -1.474 . . . . 25.0 107.02 177.031 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.6 mp -132.69 133.47 43.58 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.674 0.62 . . . . 25.0 112.674 -176.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -116.93 138.27 51.66 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 109.067 -0.716 . . . . 25.0 109.067 175.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -85.04 -56.25 2.48 Favored Glycine 0 C--O 1.247 0.93 0 C-N-CA 120.235 -0.983 . . . . 25.0 114.225 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.81 -177.19 53.99 Favored Glycine 0 C--O 1.241 0.56 0 N-CA-C 111.406 -0.678 . . . . 25.0 111.406 -177.142 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.05 163.14 10.35 Favored 'General case' 0 C--O 1.24 0.594 0 N-CA-C 109.758 -0.46 . . . . 25.0 109.758 177.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 85.66 171.87 48.41 Favored Glycine 0 C--O 1.241 0.57 0 N-CA-C 110.452 -1.059 . . . . 25.0 110.452 -177.266 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.41 ' HB3' ' HA ' ' A' ' 71' ' ' PHE . 9.9 ptp85 -89.68 130.52 35.95 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 107.305 -1.369 . . . . 25.0 107.305 179.357 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -128.34 149.4 50.53 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.372 -0.376 . . . . 50.0 111.424 -173.412 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -123.25 111.59 16.63 Favored 'General case' 0 CA--C 1.509 -0.622 0 N-CA-C 105.587 -2.005 . . . . 25.0 105.587 179.293 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.2 mp -113.48 120.03 39.63 Favored 'General case' 0 C--O 1.214 -0.805 0 N-CA-C 109.686 -0.487 . . . . 25.0 109.686 -171.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.6 m -104.92 111.68 24.53 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.295 -0.631 . . . . 25.0 109.295 -178.64 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -77.23 -43.49 16.19 Favored Glycine 0 C--O 1.236 0.256 0 C-N-CA 119.777 -1.201 . . . . 25.0 112.358 -177.262 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 73.78 -164.44 54.78 Favored Glycine 0 C--O 1.243 0.683 0 C-N-CA 120.954 -0.641 . . . . 25.0 111.592 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.2 mp -63.94 155.45 30.82 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.483 -0.562 . . . . 25.0 109.483 178.394 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 92.68 167.96 39.5 Favored Glycine 0 C--O 1.245 0.843 0 N-CA-C 110.109 -1.196 . . . . 25.0 110.109 -178.072 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -84.11 130.04 34.87 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 106.531 -1.655 . . . . 25.0 106.531 178.486 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -126.12 145.61 50.27 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.483 -0.562 . . . . 50.0 109.483 -175.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.8 t -122.41 133.31 54.63 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.33 -0.989 . . . . 25.0 108.33 176.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -118.14 130.27 56.01 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 105.977 -1.86 . . . . 25.0 105.977 -176.193 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 59.7 ttt-85 -132.08 148.38 52.49 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.479 0.657 . . . . 25.0 112.4 -174.14 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -67.65 158.57 31.88 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.297 -1.001 . . . . 25.0 108.297 171.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -109.39 -38.53 5.45 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 107.189 -1.412 . . . . 25.0 107.189 167.232 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.2 tp -145.34 170.42 16.36 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.979 -0.749 . . . . 25.0 108.979 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 17.1 ttm180 -59.21 -31.89 69.44 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 121.54 0.686 . . . . 25.0 110.976 176.264 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -74.44 6.81 3.37 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 114.166 1.173 . . . . 25.0 114.166 -178.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.25 -36.02 76.81 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 113.544 0.942 . . . . 25.0 113.544 -178.434 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 38.2 p -149.52 104.09 3.33 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 118.438 0.563 . . . . 25.0 112.023 -176.597 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.427 ' HD2' ' CD1' ' A' ' 128' ' ' PHE . 8.3 t-80 -152.18 160.94 43.29 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.834 0.35 . . . . 25.0 110.286 -178.015 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 22.6 mtm105 -100.68 152.77 20.06 Favored 'General case' 0 C--O 1.216 -0.672 0 N-CA-C 106.952 -1.499 . . . . 25.0 106.952 174.368 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 28.5 t -150.52 158.0 36.09 Favored Pre-proline 0 C--N 1.319 -0.72 0 N-CA-C 106.465 -1.68 . . . . 25.0 106.465 -176.024 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -67.19 -13.7 40.54 Favored 'Trans proline' 0 CA--C 1.538 0.72 0 C-N-CA 115.578 -2.482 . . . . 25.0 112.739 173.44 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.9 mp -76.04 -6.34 50.63 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.396 0.617 . . . . 25.0 110.592 175.34 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 127.23 170.85 12.94 Favored Glycine 0 N--CA 1.45 -0.377 0 N-CA-C 109.117 -1.593 . . . . 25.0 109.117 -178.452 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 9.7 t -85.55 139.65 31.28 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.532 -0.914 . . . . 25.0 108.532 178.488 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.41 ' HA ' ' HB3' ' A' ' 43' ' ' ARG . 97.8 m-85 -117.56 25.36 10.47 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.481 -1.303 . . . . 25.0 107.481 178.093 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.5 t -65.1 144.07 57.48 Favored 'General case' 0 C--O 1.242 0.707 0 CA-C-N 114.325 -1.307 . . . . 25.0 110.004 177.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -95.45 149.34 21.5 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.575 -0.739 . . . . 50.0 109.94 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.9 mp -121.28 130.61 53.75 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 106.002 -1.851 . . . . 25.0 106.002 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 18.8 mt -108.31 139.43 30.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 N-CA-C 106.4 -1.704 . . . . 25.0 106.4 176.337 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 49.9 mt -120.55 151.64 39.14 Favored 'General case' 0 C--N 1.311 -1.071 0 N-CA-C 108.254 -1.017 . . . . 25.0 108.254 -174.442 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 53.8 43.5 30.89 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-O 121.941 0.877 . . . . 25.0 109.384 -178.432 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -91.75 126.44 36.83 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.911 -1.04 . . . . 25.0 111.757 -175.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -96.31 101.99 10.01 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.123 -0.944 . . . . 25.0 109.148 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -67.59 -12.05 34.25 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 117.295 -1.337 . . . . 25.0 114.942 -176.405 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 39.4 t -87.99 -17.22 31.69 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.696 0.999 . . . . 25.0 113.696 177.314 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -132.92 -35.71 1.06 Allowed 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 114.77 1.396 . . . . 25.0 114.77 -170.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -78.15 159.39 28.64 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.322 -0.621 . . . . 50.0 109.322 -177.071 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 41.8 tptt -128.31 142.09 51.24 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 112.042 0.386 . . . . 25.0 112.042 -177.059 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 54.8 mt -122.69 110.63 27.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.668 0 C-N-CA 122.83 0.452 . . . . 25.0 110.7 179.209 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.09 114.27 26.06 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.612 0.72 . . . . 25.0 110.07 176.076 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.5 m -137.27 30.43 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 CA-C-N 115.136 -0.938 . . . . 25.0 109.792 -177.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.9 t -63.64 -36.89 85.32 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 113.081 0.771 . . . . 25.0 113.081 -176.11 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.57 -11.22 59.68 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 115.568 1.692 . . . . 25.0 115.568 -174.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 46.8 mt -66.85 -47.15 72.83 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 106.279 -1.748 . . . . 25.0 106.279 178.329 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 80.37 151.01 6.98 Favored Glycine 0 C--O 1.225 -0.411 0 CA-C-N 113.624 -1.625 . . . . 25.0 111.498 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -144.59 159.73 42.32 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 106.473 -1.677 . . . . 25.0 106.473 -177.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 10.8 tt -110.17 -7.9 11.46 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 N-CA-C 113.169 0.803 . . . . 25.0 113.169 -171.057 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -147.95 174.92 27.51 Favored Glycine 0 C--O 1.226 -0.374 0 C-N-CA 120.29 -0.957 . . . . 25.0 114.559 -178.032 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 77.5 mt -67.33 -24.55 65.74 Favored 'General case' 0 C--O 1.221 -0.407 0 N-CA-C 117.355 2.354 . . . . 25.0 117.355 -169.387 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 137.3 68.69 0.05 OUTLIER Glycine 0 C--O 1.221 -0.704 0 N-CA-C 116.73 1.452 . . . . 25.0 116.73 179.682 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -102.94 -11.03 18.51 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.558 -0.534 . . . . 25.0 109.558 177.324 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 79.38 -1.96 73.96 Favored Glycine 0 CA--C 1.523 0.556 0 CA-C-N 116.116 -0.493 . . . . 25.0 114.203 -178.002 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -135.63 161.23 36.12 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.983 -0.747 . . . . 25.0 108.983 -179.335 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 56.38 37.88 29.22 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 113.724 1.009 . . . . 25.0 113.724 177.004 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 84.62 29.21 30.25 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.818 -0.706 . . . . 25.0 113.56 174.481 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 38.8 p -130.69 148.84 52.53 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 106.575 -1.639 . . . . 25.0 106.575 -178.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -94.74 141.4 28.67 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 117.085 2.254 . . . . 25.0 117.085 -168.832 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -146.42 159.79 42.93 Favored 'General case' 0 C--O 1.239 0.537 0 N-CA-C 106.074 -1.825 . . . . 25.0 106.074 169.658 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 7.3 p -124.87 143.31 38.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 104.985 -2.228 . . . . 25.0 104.985 176.559 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 39.4 p -138.2 152.44 48.63 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.654 -0.499 . . . . 25.0 109.654 -174.397 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 49.8 mt -107.91 156.91 18.67 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.523 0.677 . . . . 25.0 109.904 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 33.2 p -75.48 169.67 17.63 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.591 -0.892 . . . . 25.0 108.591 174.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.63 -11.18 23.07 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 114.748 1.388 . . . . 25.0 114.748 -179.112 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 48.0 p30 -116.67 0.43 12.61 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.314 0.578 . . . . 25.0 109.563 179.383 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 69.82 2.36 36.99 Favored Glycine 0 C--O 1.225 -0.444 0 CA-C-N 115.797 -0.638 . . . . 25.0 113.952 -178.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 87.7 mt -88.15 -5.77 58.24 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 117.49 0.645 . . . . 25.0 112.503 -173.698 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 85.2 mtt-85 -137.11 156.27 48.58 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 106.955 -1.498 . . . . 25.0 106.955 178.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 7.0 m -135.88 147.38 48.17 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 107.935 -1.135 . . . . 25.0 107.935 -178.706 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -132.62 134.48 44.94 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 110.189 -0.3 . . . . 25.0 110.189 178.565 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 8.4 mp -101.11 132.49 46.54 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 105.584 -2.006 . . . . 25.0 105.584 178.313 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -126.32 147.21 49.77 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.154 0.427 . . . . 25.0 112.154 -174.624 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 34.2 t -135.81 -34.59 0.81 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.637 -1.165 . . . . 25.0 110.383 175.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER 41.98 53.1 4.25 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 114.848 -1.069 . . . . 25.0 113.605 -179.075 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -56.9 135.25 55.91 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.444 -1.317 . . . . 25.0 107.444 175.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -145.21 43.29 1.31 Allowed 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.723 0.638 . . . . 25.0 112.723 -168.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -56.21 -36.9 68.95 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 120.994 0.425 . . . . 25.0 112.031 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -159.63 -39.03 0.06 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.851 -0.613 . . . . 25.0 112.615 178.294 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 49.6 mm-40 -111.66 -1.62 15.65 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 116.438 2.014 . . . . 25.0 116.438 -171.164 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 62.79 40.22 98.96 Favored Glycine 0 CA--C 1.521 0.464 0 C-N-CA 120.159 -1.019 . . . . 25.0 113.65 178.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 25.6 mmt180 -112.0 128.48 56.19 Favored 'General case' 0 C--O 1.214 -0.766 0 N-CA-C 102.989 -2.967 . . . . 25.0 102.989 179.446 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 77.4 p -139.98 165.7 26.62 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 116.971 2.211 . . . . 25.0 116.971 -162.677 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.427 ' CD1' ' HD2' ' A' ' 64' ' ' HIS . 83.4 m-85 -78.39 111.35 14.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.021 -0.991 . . . . 25.0 108.839 170.326 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -139.61 144.85 37.91 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 109.202 -0.666 . . . . 25.0 109.202 176.583 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.9 mp -136.19 162.05 34.04 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 107.019 -1.474 . . . . 25.0 107.019 179.296 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -137.43 155.33 49.47 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.3 -0.63 . . . . 25.0 109.3 176.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 35.0 mt -131.17 139.41 49.75 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 104.807 -2.294 . . . . 25.0 104.807 177.577 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -126.9 149.51 49.75 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.812 -0.44 . . . . 25.0 109.812 178.527 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 77.21 43.76 15.46 Favored Glycine 0 C--O 1.225 -0.418 0 N-CA-C 110.365 -1.094 . . . . 25.0 110.365 178.367 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 24.9 m120 -96.49 149.4 21.78 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 114.466 1.284 . . . . 25.0 114.466 -172.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -88.51 92.72 9.29 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.251 -1.341 . . . . 25.0 110.801 177.34 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -63.93 -26.45 68.6 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.205 -0.665 . . . . 25.0 109.205 173.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -60.67 -26.07 66.82 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.719 -0.673 . . . . 25.0 110.517 176.717 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 69.3 p -125.54 39.47 3.95 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 116.622 -0.263 . . . . 25.0 110.63 177.23 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.2 pp -57.61 137.81 55.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.643 0.735 . . . . 25.0 110.607 -177.076 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 40.8 t -160.46 151.02 18.39 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.291 -1.003 . . . . 25.0 108.291 -177.605 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -108.81 1.06 20.7 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.829 -0.804 . . . . 25.0 108.829 175.227 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -74.45 -14.46 80.95 Favored Glycine 0 C--N 1.332 0.312 0 CA-C-N 116.235 -0.439 . . . . 25.0 113.503 -176.541 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 13.1 p30 -72.38 -18.54 61.73 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 122.267 -0.549 . . . . 25.0 111.149 178.047 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 65.6 mt -77.89 140.91 16.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 104.979 -2.23 . . . . 25.0 104.979 175.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 10.2 p -56.96 -31.9 37.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 N-CA-C 112.942 0.719 . . . . 25.0 112.942 179.2 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -73.91 -29.84 62.27 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 122.321 -0.237 . . . . 25.0 111.535 177.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . 60.64 169.68 0.09 Allowed 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.109 1.364 . . . . 25.0 113.468 -177.367 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . 48.3 27.64 1.39 Allowed 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 116.879 2.177 . . . . 25.0 116.879 175.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -63.47 139.75 58.8 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 108.433 -0.951 . . . . 25.0 108.433 177.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 8.9 t -64.08 140.21 97.84 Favored Pre-proline 0 C--O 1.239 0.511 0 CA-C-N 116.383 -0.371 . . . . 25.0 110.394 -178.263 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -77.66 175.21 11.51 Favored 'Trans proline' 0 C--N 1.353 0.805 0 O-C-N 121.991 0.469 . . . . 25.0 112.406 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.51 0 N-CA-C 107.111 -2.396 . . . . 25.0 107.111 179.257 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 206' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 1.991 0 CA-C-O 119.471 -0.3 . . . . 25.0 110.517 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 44.39 -159.87 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 125.415 1.486 . . . . 25.0 114.837 -176.586 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -176.23 -163.56 28.96 Favored Glycine 0 C--N 1.329 0.162 0 N-CA-C 106.84 -2.504 . . . . 25.0 106.84 -177.595 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.3 t -146.9 175.34 10.73 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 118.291 1.045 . . . . 25.0 108.998 -179.11 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -81.3 142.72 32.83 Favored 'General case' 0 C--N 1.321 -0.642 0 O-C-N 121.242 -0.911 . . . . 25.0 109.003 177.547 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 122.53 -177.16 16.54 Favored Glycine 0 C--O 1.223 -0.554 0 N-CA-C 107.337 -2.305 . . . . 25.0 107.337 -172.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 20.5 m-20 -91.02 115.64 28.17 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 119.779 1.789 . . . . 25.0 108.6 179.529 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -111.47 157.72 19.97 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.232 0.539 . . . . 50.0 111.566 -173.02 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 93.5 t -123.4 112.94 35.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 103.41 -2.811 . . . . 25.0 103.41 164.486 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 53.8 mt -119.22 131.91 55.88 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.736 -0.839 . . . . 25.0 108.736 -174.056 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 80.1 mt -129.98 128.28 64.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 107.526 -1.287 . . . . 25.0 107.526 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -86.34 158.29 31.19 Favored Glycine 0 N--CA 1.448 -0.517 0 CA-C-O 121.685 0.603 . . . . 25.0 113.67 -178.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.9 t -81.93 178.33 8.36 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.511 -0.922 . . . . 25.0 108.511 176.127 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -74.21 -16.66 60.96 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.784 0.661 . . . . 25.0 112.784 -178.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.6 m -78.95 165.79 2.81 Favored 'Isoleucine or valine' 0 C--O 1.239 0.534 0 N-CA-C 109.431 -0.581 . . . . 25.0 109.431 177.268 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.23 140.14 28.0 Favored Glycine 0 CA--C 1.516 0.154 0 N-CA-C 110.903 -0.879 . . . . 25.0 110.903 177.618 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -144.75 167.41 22.64 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.312 0.577 . . . . 50.0 112.475 -175.119 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -115.55 120.5 39.67 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 105.303 -2.11 . . . . 25.0 105.303 167.722 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 74.3 mt -123.43 133.21 69.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 106.513 -1.662 . . . . 25.0 106.513 -175.375 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.8 p -135.8 128.2 30.36 Favored 'General case' 0 C--O 1.215 -0.727 0 N-CA-C 108.58 -0.896 . . . . 25.0 108.58 -178.122 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -81.12 -22.2 61.44 Favored Glycine 0 C--O 1.227 -0.321 0 C-N-CA 120.274 -0.965 . . . . 25.0 112.819 -177.213 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 65.35 -154.93 49.96 Favored Glycine 0 C--O 1.244 0.758 0 N-CA-C 110.727 -0.949 . . . . 25.0 110.727 -177.692 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.13 165.87 24.2 Favored 'General case' 0 C--O 1.245 0.868 0 O-C-N 122.062 -0.67 . . . . 25.0 109.469 178.031 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 89.48 169.46 44.1 Favored Glycine 0 C--O 1.239 0.451 0 CA-C-N 115.261 -0.881 . . . . 25.0 111.819 -179.44 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -92.08 112.5 24.46 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 107.707 -1.22 . . . . 25.0 107.707 -177.651 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -119.18 157.24 28.36 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 113.287 0.847 . . . . 50.0 113.287 -171.579 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 59.5 ttt85 -115.71 123.95 49.61 Favored 'General case' 0 CA--C 1.509 -0.627 0 N-CA-C 105.444 -2.058 . . . . 25.0 105.444 165.005 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.9 mp -111.14 142.56 43.15 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 105.914 -1.884 . . . . 25.0 105.914 178.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.418 ' HA ' ' HB ' ' A' ' 47' ' ' THR . 34.3 t0 -132.5 136.09 46.43 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 104.287 -2.486 . . . . 25.0 104.287 168.3 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -91.47 -22.57 31.28 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 111.025 -0.83 . . . . 25.0 111.025 -179.326 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 67.91 -159.75 50.81 Favored Glycine 0 C--O 1.249 1.087 0 N-CA-C 109.778 -1.329 . . . . 25.0 109.778 -174.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.24 173.06 10.01 Favored 'General case' 0 C--O 1.245 0.856 0 O-C-N 122.086 -0.656 . . . . 25.0 110.143 178.104 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 81.59 166.3 36.67 Favored Glycine 0 C--O 1.238 0.37 0 N-CA-C 110.706 -0.957 . . . . 25.0 110.706 -177.624 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -83.59 132.9 34.88 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 106.918 -1.512 . . . . 25.0 106.918 -179.456 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -135.35 153.56 51.8 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 113.997 1.11 . . . . 50.0 113.997 -172.485 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.2 mp -106.37 125.85 51.51 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 104.832 -2.284 . . . . 25.0 104.832 174.181 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.8 mp -126.59 107.06 9.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.115 0.483 . . . . 25.0 111.297 -177.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -100.62 118.32 36.53 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.926 -0.768 . . . . 25.0 108.926 -178.505 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -68.59 -48.75 48.37 Favored Glycine 0 C--O 1.249 1.054 0 C-N-CA 120.273 -0.965 . . . . 25.0 114.886 -175.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.97 177.0 50.24 Favored Glycine 0 C--O 1.237 0.294 0 N-CA-C 111.2 -0.76 . . . . 25.0 111.2 -176.691 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.64 153.83 15.67 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 122.078 -0.66 . . . . 25.0 110.068 179.017 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 94.55 168.37 36.91 Favored Glycine 0 C--O 1.241 0.566 0 N-CA-C 111.091 -0.804 . . . . 25.0 111.091 -177.132 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.7 ptp85 -90.49 123.37 34.13 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 107.038 -1.467 . . . . 25.0 107.038 -179.672 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -124.0 157.77 33.64 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.258 -0.428 . . . . 50.0 111.505 -171.682 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -123.25 104.81 9.38 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 106.115 -1.809 . . . . 25.0 106.115 179.42 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.5 mp -102.54 113.0 26.0 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.082 -0.508 . . . . 25.0 109.691 -171.349 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.418 ' HB ' ' HA ' ' A' ' 29' ' ' ASP . 11.9 m -102.88 118.66 37.31 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 107.849 -1.167 . . . . 25.0 107.849 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -82.2 -39.38 11.39 Favored Glycine 0 C--O 1.245 0.844 0 C-N-CA 119.539 -1.315 . . . . 25.0 113.008 -176.687 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.52 -163.21 54.27 Favored Glycine 0 C--O 1.244 0.724 0 N-CA-C 110.564 -1.014 . . . . 25.0 110.564 -176.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 85.7 mt -64.47 157.56 26.3 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.004 0.43 . . . . 25.0 111.024 179.145 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 90.57 168.62 42.47 Favored Glycine 0 C--O 1.243 0.711 0 CA-C-N 115.379 -0.828 . . . . 25.0 111.065 -178.569 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.48 128.11 34.25 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 106.667 -1.605 . . . . 25.0 106.667 178.189 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -124.98 141.17 52.3 Favored 'General case' 0 C--N 1.318 -0.795 0 O-C-N 122.057 -0.402 . . . . 50.0 110.381 -175.127 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.1 t -112.35 118.39 35.11 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 107.74 -1.207 . . . . 25.0 107.74 176.676 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -99.33 128.33 45.44 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 106.566 -1.642 . . . . 25.0 106.566 -178.089 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -131.39 152.2 50.85 Favored 'General case' 0 CA--C 1.505 -0.782 0 N-CA-C 115.44 1.645 . . . . 25.0 115.44 -168.565 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -78.1 156.77 29.78 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 113.371 -1.74 . . . . 25.0 107.122 168.041 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -124.05 -3.97 8.03 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.678 -0.86 . . . . 25.0 108.678 168.333 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 32.8 tp -159.36 163.26 35.72 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 105.377 -2.083 . . . . 25.0 105.377 -178.655 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 40.0 ptt180 -69.77 -27.03 64.58 Favored 'General case' 0 C--O 1.21 -0.99 0 CA-C-N 119.327 0.967 . . . . 25.0 109.982 175.176 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -88.52 10.83 18.94 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.906 0.86 . . . . 25.0 111.374 -174.385 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -61.19 -35.46 77.21 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.212 -0.904 . . . . 25.0 112.802 -178.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.1 t -144.72 104.41 4.02 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.61 0.719 . . . . 25.0 110.115 -179.582 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -145.96 156.72 43.7 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.25 -1.018 . . . . 25.0 108.25 -172.596 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 49.9 mtm-85 -130.49 134.14 46.83 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 119.066 0.848 . . . . 25.0 110.405 175.527 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 24.5 t -124.88 154.8 70.9 Favored Pre-proline 0 C--N 1.324 -0.534 0 N-CA-C 106.673 -1.602 . . . . 25.0 106.673 -178.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -67.45 -15.55 45.57 Favored 'Trans proline' 0 CA--C 1.536 0.615 0 C-N-CA 115.996 -2.203 . . . . 25.0 112.696 173.6 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.8 mp -78.65 -9.4 59.38 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 120.885 0.374 . . . . 25.0 110.545 176.506 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 152.36 150.37 5.36 Favored Glycine 0 N--CA 1.451 -0.344 0 CA-C-O 121.663 0.591 . . . . 25.0 111.932 179.375 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.4 t -85.77 141.54 29.6 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.091 -0.707 . . . . 25.0 109.091 178.665 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -124.65 12.58 8.61 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 107.21 -1.404 . . . . 25.0 107.21 175.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 87.5 p -73.0 143.12 47.7 Favored 'General case' 0 C--O 1.244 0.783 0 CA-C-O 121.373 0.606 . . . . 25.0 110.14 -176.21 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -82.57 156.23 24.07 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.207 -0.906 . . . . 50.0 109.243 178.309 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.1 mp -120.91 127.81 52.2 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 105.076 -2.194 . . . . 25.0 105.076 177.391 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 39.5 mt -100.24 140.89 18.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 105.679 -1.971 . . . . 25.0 105.679 175.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -122.99 146.44 47.62 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 107.659 -1.238 . . . . 25.0 107.659 -174.427 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 53.47 44.18 30.28 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 122.452 1.12 . . . . 25.0 110.941 176.286 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -80.66 129.65 34.64 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.329 -1.305 . . . . 25.0 109.816 179.54 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -97.87 104.81 23.54 Favored Pre-proline 0 C--N 1.324 -0.521 0 N-CA-C 109.244 -0.65 . . . . 25.0 109.244 178.503 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -73.05 4.33 3.82 Favored 'Trans proline' 0 C--N 1.343 0.285 0 N-CA-C 114.998 1.115 . . . . 25.0 114.998 -177.159 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 26.5 t -102.32 -8.01 21.58 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 122.192 0.197 . . . . 25.0 111.427 176.601 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -144.48 -35.8 0.34 Allowed 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 115.351 1.611 . . . . 25.0 115.351 -173.339 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -80.42 153.49 28.23 Favored 'General case' 0 C--N 1.322 -0.589 0 O-C-N 122.213 -0.305 . . . . 50.0 110.769 -173.037 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 39.8 tptt -131.66 150.24 52.22 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 109.887 -0.412 . . . . 25.0 109.887 -175.624 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 43.7 mt -123.6 119.9 58.5 Favored 'Isoleucine or valine' 0 C--O 1.241 0.655 0 N-CA-C 109.375 -0.602 . . . . 25.0 109.375 179.122 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -90.99 129.01 37.04 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.937 -1.134 . . . . 25.0 107.937 177.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 31.2 m -133.42 21.51 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 CA-C-O 121.482 0.658 . . . . 25.0 111.849 -176.636 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 25.1 t -55.97 -40.18 72.87 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 114.324 1.231 . . . . 25.0 114.324 -174.647 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.61 -13.06 61.29 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 113.501 0.926 . . . . 25.0 113.501 -179.138 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 14.0 mt -87.9 -33.09 18.62 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 106.07 -1.826 . . . . 25.0 106.07 -179.341 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 70.36 37.48 70.35 Favored Glycine 0 C--O 1.226 -0.354 0 N-CA-C 116.792 1.477 . . . . 25.0 116.792 168.427 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -58.88 134.5 56.97 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.705 -0.85 . . . . 25.0 108.705 177.354 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 9.7 tp -124.77 -22.26 2.47 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 N-CA-C 114.297 1.221 . . . . 25.0 114.297 -170.395 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.685 ' HA3' HG22 ' A' ' 102' ' ' THR . . . -105.64 158.5 15.77 Favored Glycine 0 C--O 1.229 -0.207 0 C-N-CA 120.683 -0.77 . . . . 25.0 114.376 -178.339 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 85.2 mt -59.37 -37.52 78.12 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 116.204 1.927 . . . . 25.0 116.204 -173.244 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 146.63 70.02 0.01 OUTLIER Glycine 0 C--O 1.221 -0.701 0 N-CA-C 121.395 3.318 . . . . 25.0 121.395 176.678 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -97.67 -11.14 23.86 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 108.751 -0.833 . . . . 25.0 108.751 170.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 85.15 1.08 88.63 Favored Glycine 0 N--CA 1.459 0.231 0 CA-C-N 115.953 -0.567 . . . . 25.0 114.337 179.471 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -140.76 158.01 44.59 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.654 -0.869 . . . . 25.0 108.654 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 56.02 48.89 16.82 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 113.944 1.09 . . . . 25.0 113.944 175.605 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 83.41 10.72 81.58 Favored Glycine 0 CA--C 1.51 -0.219 0 C-N-CA 120.693 -0.765 . . . . 25.0 114.108 172.506 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.685 HG22 ' HA3' ' A' ' 94' ' ' GLY . 21.1 p -118.54 131.02 56.23 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.907 -1.146 . . . . 25.0 107.907 -177.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -94.6 124.32 38.57 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 116.122 1.897 . . . . 25.0 116.122 -169.34 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -119.57 166.67 12.85 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 109.039 -0.726 . . . . 25.0 109.039 173.229 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 8.6 p -125.66 152.21 32.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 108.565 -0.902 . . . . 25.0 108.565 -177.68 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 38.2 m -143.0 161.55 37.81 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 107.366 -1.346 . . . . 25.0 107.366 179.301 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 26.6 mt -126.59 157.46 38.82 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.641 -0.503 . . . . 25.0 109.641 -179.346 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 29.4 t -75.76 159.61 30.88 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 106.926 -1.509 . . . . 25.0 106.926 172.709 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -66.45 -9.19 31.71 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 113.646 0.98 . . . . 25.0 113.646 -177.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 22.9 p30 -110.7 0.34 17.4 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.653 -0.869 . . . . 25.0 108.653 -179.035 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 68.02 4.01 32.8 Favored Glycine 0 C--O 1.226 -0.357 0 CA-C-N 115.71 -0.677 . . . . 25.0 113.986 -177.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 96.3 mt -83.39 -14.27 53.11 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 117.527 0.663 . . . . 25.0 112.431 -173.438 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 82.2 mtt85 -136.17 154.02 51.08 Favored 'General case' 0 CA--C 1.506 -0.718 0 N-CA-C 109.348 -0.612 . . . . 25.0 109.348 -178.33 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 4.5 m -134.15 150.02 51.08 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 106.939 -1.504 . . . . 25.0 106.939 -178.271 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -133.33 144.75 49.85 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.108 -1.071 . . . . 25.0 108.108 -178.231 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 8.2 mp -124.62 132.93 53.4 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 106.507 -1.664 . . . . 25.0 106.507 179.212 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 67.0 tttt -138.75 132.16 30.28 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 111.518 0.192 . . . . 25.0 111.518 -176.605 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.2 t -120.25 -27.17 5.31 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 123.776 0.673 . . . . 25.0 111.489 176.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 5.4 t80 44.67 53.61 7.12 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-O 122.537 1.16 . . . . 25.0 112.761 177.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.48 158.21 36.47 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 113.678 -1.601 . . . . 25.0 111.288 -178.245 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -139.29 11.29 2.56 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 122.84 1.305 . . . . 25.0 107.692 171.696 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -79.81 -41.3 26.72 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 113.351 -1.75 . . . . 25.0 110.187 -171.215 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -82.56 66.71 8.29 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.125 -0.943 . . . . 25.0 110.81 -179.378 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 3.5 tm0? 62.13 38.22 13.94 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 122.061 0.934 . . . . 25.0 110.311 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 67.48 30.0 74.64 Favored Glycine 0 C--N 1.322 -0.227 0 CA-C-N 115.342 -0.845 . . . . 25.0 113.825 178.063 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 25.6 mmt180 -114.27 134.72 54.74 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.918 -1.141 . . . . 25.0 107.918 178.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 56.9 p -102.99 152.1 21.72 Favored 'General case' 0 C--N 1.322 -0.589 0 O-C-N 124.004 0.815 . . . . 25.0 110.338 -178.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -126.62 138.57 53.46 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.623 -0.88 . . . . 25.0 108.623 178.211 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -147.3 151.47 36.65 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.148 -1.056 . . . . 25.0 108.148 -175.171 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 2.2 mt -132.85 169.06 17.3 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 122.854 0.462 . . . . 25.0 111.26 -175.513 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -148.21 160.33 43.05 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.747 -0.834 . . . . 25.0 108.747 175.685 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 40.8 mt -138.32 139.49 39.11 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 105.586 -2.005 . . . . 25.0 105.586 179.503 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.98 144.79 51.74 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 106.708 -1.589 . . . . 25.0 106.708 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 56.95 50.1 66.52 Favored Glycine 0 C--O 1.228 -0.249 0 C-N-CA 120.356 -0.926 . . . . 25.0 112.173 176.61 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -107.6 161.48 14.82 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 122.372 -0.487 . . . . 25.0 109.982 -176.782 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 71.1 m80 -77.43 67.7 3.41 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.982 -0.748 . . . . 25.0 108.982 172.47 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -61.29 -29.94 70.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.942 -0.572 . . . . 25.0 110.278 -179.405 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.05 -26.76 67.85 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.928 -0.578 . . . . 25.0 111.684 178.064 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 66.8 p -126.3 26.8 6.35 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 111.943 0.349 . . . . 25.0 111.943 -179.68 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.4 pp -64.43 154.04 36.9 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.414 0.626 . . . . 25.0 111.835 -175.196 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 99.5 p -149.93 142.93 24.9 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.784 -0.821 . . . . 25.0 108.784 176.641 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -86.09 -4.93 59.27 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 121.107 0.48 . . . . 25.0 111.466 -178.084 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -67.62 -10.84 58.88 Favored Glycine 0 C--O 1.227 -0.325 0 C-N-CA 121.29 -0.481 . . . . 25.0 114.031 -178.136 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -87.64 -6.24 58.36 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 112.563 0.579 . . . . 25.0 112.563 -178.351 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 84.7 mt -74.67 144.1 12.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 102.565 -3.124 . . . . 25.0 102.565 170.109 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 4.4 p -53.05 -32.96 19.06 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 N-CA-C 113.466 0.913 . . . . 25.0 113.466 -176.25 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -75.72 -32.99 60.28 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 113.54 0.941 . . . . 25.0 113.54 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . 51.62 -152.41 0.22 Allowed 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.161 0.584 . . . . 25.0 111.807 -177.556 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . 55.18 27.46 9.65 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 116.28 1.956 . . . . 25.0 116.28 174.587 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -71.01 100.49 2.0 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 121.01 0.433 . . . . 25.0 110.373 177.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 7.6 t -77.28 147.73 76.57 Favored Pre-proline 0 CA--C 1.542 0.665 0 N-CA-C 108.958 -0.756 . . . . 25.0 108.958 179.625 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_endo -75.49 176.85 9.43 Favored 'Trans proline' 0 C--N 1.35 0.605 0 C-N-CA 117.762 -1.025 . . . . 25.0 111.877 177.226 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.297 0 N-CA-C 107.414 -2.275 . . . . 25.0 107.414 176.087 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 206' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.721 0 CA-C-O 119.044 -0.503 . . . . 25.0 110.143 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 46.7 -161.72 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 125.28 1.432 . . . . 25.0 113.924 -176.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -172.18 -161.4 22.62 Favored Glycine 0 C--O 1.235 0.161 0 N-CA-C 107.538 -2.225 . . . . 25.0 107.538 179.422 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.3 t -148.96 173.43 13.34 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 107.414 -1.328 . . . . 25.0 107.414 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -81.91 148.72 28.61 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 119.17 0.895 . . . . 25.0 109.206 177.381 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 117.16 -176.0 15.98 Favored Glycine 0 C--O 1.224 -0.492 0 N-CA-C 107.685 -2.166 . . . . 25.0 107.685 -172.409 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 46.9 m-20 -91.44 105.75 17.99 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 119.344 1.572 . . . . 25.0 108.994 -179.396 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -95.74 154.38 17.25 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.663 0.268 . . . . 50.0 110.964 -173.55 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 65.3 t -129.12 103.37 9.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 104.492 -2.41 . . . . 25.0 104.492 167.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 64.5 mt -123.12 139.43 54.07 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.222 -0.445 . . . . 25.0 111.089 -172.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 89.3 mt -129.37 126.88 64.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 105.715 -1.958 . . . . 25.0 105.715 176.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -77.81 158.13 46.3 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.965 -0.636 . . . . 25.0 113.077 -177.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.5 t -77.21 174.94 10.17 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 107.775 -1.195 . . . . 25.0 107.775 176.218 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -76.23 -10.3 59.3 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 112.729 0.641 . . . . 25.0 112.729 -178.051 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.7 m -79.93 166.0 2.65 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 N-CA-C 109.217 -0.66 . . . . 25.0 109.217 175.473 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.47 139.75 27.13 Favored Glycine 0 CA--C 1.516 0.124 0 N-CA-C 111.028 -0.829 . . . . 25.0 111.028 177.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -146.84 163.9 34.56 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 113.381 0.882 . . . . 50.0 113.381 -174.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -108.6 124.27 50.23 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 104.059 -2.571 . . . . 25.0 104.059 161.581 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 58.2 mt -124.39 120.14 58.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 N-CA-C 105.536 -2.024 . . . . 25.0 105.536 -178.423 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 45.6 p -120.07 142.49 48.82 Favored 'General case' 0 C--O 1.214 -0.815 0 N-CA-C 108.552 -0.907 . . . . 25.0 108.552 -175.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -97.51 -22.34 16.84 Favored Glycine 0 C--O 1.225 -0.413 0 C-N-CA 120.421 -0.895 . . . . 25.0 112.246 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 62.55 -148.22 49.34 Favored Glycine 0 C--O 1.244 0.773 0 C-N-CA 120.252 -0.975 . . . . 25.0 110.792 -178.112 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.54 162.39 28.83 Favored 'General case' 0 C--O 1.245 0.867 0 CA-C-O 121.358 0.599 . . . . 25.0 109.813 178.264 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.05 167.6 37.43 Favored Glycine 0 C--O 1.239 0.408 0 CA-C-N 115.061 -0.972 . . . . 25.0 112.353 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -91.42 101.4 14.08 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.04 -1.096 . . . . 25.0 108.04 -178.387 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -106.84 164.16 12.34 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 113.654 0.983 . . . . 50.0 113.654 -170.714 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -124.52 123.29 39.79 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 105.074 -2.195 . . . . 25.0 105.074 168.357 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 62.6 mt -122.37 137.74 54.76 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.772 -0.825 . . . . 25.0 108.772 -176.235 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -131.62 140.28 49.35 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 105.544 -2.021 . . . . 25.0 105.544 174.465 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -87.73 -25.99 30.92 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 121.355 -0.45 . . . . 25.0 112.397 -179.597 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 68.12 -158.3 52.05 Favored Glycine 0 C--O 1.245 0.833 0 N-CA-C 108.48 -1.848 . . . . 25.0 108.48 -172.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.2 176.37 8.14 Favored 'General case' 0 C--O 1.247 0.969 0 CA-C-N 118.325 1.062 . . . . 25.0 109.89 177.166 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.5 167.84 35.06 Favored Glycine 0 C--O 1.237 0.326 0 N-CA-C 110.17 -1.172 . . . . 25.0 110.17 -176.567 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -83.79 138.07 33.42 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 107.508 -1.293 . . . . 25.0 107.508 -179.446 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -139.64 147.84 41.59 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 114.662 1.356 . . . . 50.0 114.662 -173.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.2 mp -102.37 124.39 47.86 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 104.694 -2.336 . . . . 25.0 104.694 170.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 19.0 mt -115.24 107.01 14.72 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 107.744 -1.206 . . . . 25.0 107.744 178.25 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -105.05 94.22 5.12 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.307 -0.861 . . . . 25.0 109.754 -173.054 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -57.28 -49.31 73.58 Favored Glycine 0 C--O 1.247 0.968 0 N-CA-C 116.995 1.558 . . . . 25.0 116.995 -172.139 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.21 179.0 50.1 Favored Glycine 0 CA--C 1.519 0.328 0 O-C-N 122.002 -0.705 . . . . 25.0 112.414 -177.416 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.57 149.49 13.76 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 122.497 -0.413 . . . . 25.0 110.765 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 95.25 163.87 34.71 Favored Glycine 0 C--O 1.243 0.69 0 N-CA-C 110.49 -1.044 . . . . 25.0 110.49 -176.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.2 ptp85 -89.31 126.6 35.59 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 106.661 -1.607 . . . . 25.0 106.661 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -123.66 160.37 27.31 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.982 -0.554 . . . . 50.0 110.456 -171.477 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.36 111.89 18.32 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 107.31 -1.367 . . . . 25.0 107.31 178.655 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.9 mp -109.16 135.01 50.99 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.789 0.328 . . . . 25.0 111.311 -172.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 28.4 m -129.5 126.22 38.14 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.312 -0.995 . . . . 25.0 108.312 177.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -82.64 -43.07 7.99 Favored Glycine 0 C--O 1.242 0.607 0 C-N-CA 119.925 -1.131 . . . . 25.0 114.859 -175.518 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.4 -164.05 54.57 Favored Glycine 0 C--O 1.24 0.47 0 N-CA-C 110.27 -1.132 . . . . 25.0 110.27 -175.589 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 84.3 mt -66.48 160.27 25.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 122.656 -0.32 . . . . 25.0 110.571 178.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 87.42 174.29 48.53 Favored Glycine 0 C--O 1.238 0.371 0 N-CA-C 110.302 -1.119 . . . . 25.0 110.302 -177.367 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.75 134.34 33.96 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 107.127 -1.434 . . . . 25.0 107.127 177.616 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -133.78 142.36 47.86 Favored 'General case' 0 C--N 1.319 -0.719 0 O-C-N 121.718 -0.614 . . . . 50.0 110.832 -175.024 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.9 t -113.86 123.2 49.22 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 122.26 1.029 . . . . 25.0 110.659 173.639 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -89.59 99.79 12.72 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 103.1 -2.926 . . . . 25.0 103.1 176.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 68.7 ttt-85 -120.05 149.54 42.01 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 113.849 1.055 . . . . 25.0 113.849 -160.054 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -66.08 156.37 34.06 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.502 -1.226 . . . . 25.0 110.879 173.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -129.85 -27.76 2.28 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.573 -0.899 . . . . 25.0 108.573 168.015 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 44.5 tp -145.87 156.59 43.65 Favored 'General case' 0 C--O 1.216 -0.675 0 N-CA-C 106.903 -1.518 . . . . 25.0 106.903 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 40.6 ptt180 -62.29 -24.51 67.34 Favored 'General case' 0 C--O 1.214 -0.787 0 CA-C-O 121.307 0.575 . . . . 25.0 112.472 178.333 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -87.2 11.84 13.14 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.323 0.582 . . . . 25.0 112.324 -177.539 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.58 -41.25 73.09 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 115.362 1.616 . . . . 25.0 115.362 -176.239 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 34.6 p -148.75 106.61 3.69 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.636 -0.505 . . . . 25.0 109.636 -176.488 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.477 ' HD2' ' O ' ' A' ' 65' ' ' ARG . 16.6 t60 -151.53 172.93 15.24 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.659 0.266 . . . . 25.0 110.313 -174.59 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.477 ' O ' ' HD2' ' A' ' 64' ' ' HIS . 37.5 mmt180 -104.06 159.05 15.99 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 107.864 -1.161 . . . . 25.0 107.864 174.806 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 28.0 t -151.85 154.89 33.41 Favored Pre-proline 0 C--N 1.319 -0.752 0 N-CA-C 106.221 -1.77 . . . . 25.0 106.221 178.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -67.33 -14.28 42.27 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 115.843 -2.304 . . . . 25.0 112.139 173.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 76.0 mt -81.87 -0.67 44.68 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 122.751 0.42 . . . . 25.0 111.686 177.539 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 127.89 171.99 13.13 Favored Glycine 0 C--O 1.226 -0.392 0 N-CA-C 110.472 -1.051 . . . . 25.0 110.472 -178.69 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 13.7 t -82.06 148.59 28.51 Favored 'General case' 0 C--N 1.321 -0.66 0 O-C-N 121.756 -0.849 . . . . 25.0 109.557 179.462 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -125.95 23.56 7.18 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 106.273 -1.751 . . . . 25.0 106.273 176.214 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 26.0 p -64.33 139.15 58.74 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.985 -1.007 . . . . 25.0 109.805 178.479 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -82.29 155.94 24.57 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-O 120.927 0.394 . . . . 50.0 110.188 177.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.1 mp -120.81 129.67 53.66 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.955 -1.021 . . . . 25.0 108.507 179.414 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 11.6 mt -108.01 146.28 14.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 N-CA-C 105.61 -1.996 . . . . 25.0 105.61 174.259 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -81.13 170.17 16.5 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 106.924 -1.51 . . . . 25.0 106.924 174.546 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -56.18 138.13 50.56 Favored 'General case' 0 C--O 1.242 0.705 0 N-CA-C 108.079 -1.082 . . . . 25.0 108.079 175.152 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 25.1 p90 -142.1 -171.48 3.38 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 113.468 0.914 . . . . 25.0 113.468 -174.424 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -99.36 90.21 1.13 Allowed Pre-proline 0 N--CA 1.474 0.743 0 C-N-CA 123.086 0.554 . . . . 25.0 110.69 -176.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -73.05 1.09 6.94 Favored 'Trans proline' 0 CA--C 1.533 0.458 0 N-CA-C 115.242 1.208 . . . . 25.0 115.242 -174.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 34.4 t -87.51 -9.33 54.81 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 122.324 -0.235 . . . . 25.0 110.663 174.179 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -137.68 -31.94 0.77 Allowed 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 113.685 0.994 . . . . 25.0 113.685 -174.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -85.55 174.68 9.28 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.109 0.481 . . . . 50.0 111.404 -173.642 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 51.3 tptt -147.95 146.28 28.92 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.918 -0.583 . . . . 25.0 110.774 -169.372 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 73.4 mt -116.91 112.08 37.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 106.205 -1.776 . . . . 25.0 106.205 172.434 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -110.4 111.59 22.97 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.343 0.592 . . . . 25.0 109.959 -177.187 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 15.3 m -125.5 21.45 3.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 CA-C-N 115.377 -0.829 . . . . 25.0 111.709 -176.245 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.7 t -55.65 -41.83 74.16 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 114.349 1.24 . . . . 25.0 114.349 -175.221 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -76.2 -3.76 38.1 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 115.424 1.639 . . . . 25.0 115.424 -174.738 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 25.3 mt -75.54 -43.58 48.01 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 105.413 -2.069 . . . . 25.0 105.413 176.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 100.03 135.36 8.88 Favored Glycine 0 C--O 1.222 -0.636 0 CA-C-N 113.102 -1.863 . . . . 25.0 112.701 176.517 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -147.3 162.96 37.89 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 105.312 -2.107 . . . . 25.0 105.312 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 6.1 tp -120.06 -12.9 9.42 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 N-CA-C 113.242 0.83 . . . . 25.0 113.242 -174.236 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.473 ' HA3' HG22 ' A' ' 102' ' ' THR . . . -143.37 165.41 27.09 Favored Glycine 0 C--O 1.227 -0.326 0 C-N-CA 120.488 -0.863 . . . . 25.0 113.471 -179.718 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 84.4 mt -64.59 -38.11 89.9 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 115.53 1.678 . . . . 25.0 115.53 -171.656 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 157.23 95.6 0.11 Allowed Glycine 0 C--O 1.226 -0.377 0 N-CA-C 118.234 2.054 . . . . 25.0 118.234 -176.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -136.63 -0.62 2.36 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 122.472 0.309 . . . . 25.0 110.319 175.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 81.08 -2.44 81.13 Favored Glycine 0 N--CA 1.46 0.254 0 N-CA-C 117.067 1.587 . . . . 25.0 117.067 177.424 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -141.09 152.74 45.02 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 117.296 0.548 . . . . 25.0 111.022 -177.522 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 54.8 48.73 19.47 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 114.039 1.126 . . . . 25.0 114.039 175.259 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 84.98 19.95 58.48 Favored Glycine 0 CA--C 1.51 -0.226 0 C-N-CA 120.391 -0.909 . . . . 25.0 113.528 174.636 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.473 HG22 ' HA3' ' A' ' 94' ' ' GLY . 30.1 p -128.61 139.91 52.03 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 105.869 -1.901 . . . . 25.0 105.869 179.271 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 22.2 mt -90.07 163.38 14.91 Favored 'General case' 0 C--O 1.217 -0.654 0 N-CA-C 115.761 1.763 . . . . 25.0 115.761 -171.064 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -153.46 164.27 38.5 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 106.383 -1.71 . . . . 25.0 106.383 172.298 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 10.7 p -122.36 152.14 26.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 106.039 -1.837 . . . . 25.0 106.039 177.117 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 47.0 m -146.46 161.75 39.74 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 107.758 -1.201 . . . . 25.0 107.758 178.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 41.1 mt -131.29 161.91 31.25 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 107.907 -1.145 . . . . 25.0 107.907 179.507 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 40.8 p -77.81 167.51 21.41 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 106.388 -1.708 . . . . 25.0 106.388 170.424 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.16 -11.02 35.91 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 113.902 1.075 . . . . 25.0 113.902 -176.623 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -120.48 4.4 10.69 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.102 -0.703 . . . . 25.0 109.102 -175.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 70.85 4.97 56.32 Favored Glycine 0 CA--C 1.52 0.399 0 N-CA-C 114.701 0.64 . . . . 25.0 114.701 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 88.5 mt -78.18 -8.31 58.15 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 113.606 0.965 . . . . 25.0 113.606 -175.507 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 3.5 mmt85 -140.25 147.31 39.81 Favored 'General case' 0 CA--C 1.511 -0.545 0 N-CA-C 108.511 -0.922 . . . . 25.0 108.511 177.127 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 6.1 m -127.13 141.62 51.71 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 107.911 -1.144 . . . . 25.0 107.911 177.732 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -129.04 151.41 49.76 Favored 'General case' 0 C--N 1.32 -0.694 0 O-C-N 121.741 -0.599 . . . . 25.0 110.487 -175.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 86.7 mt -126.99 135.29 50.65 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 106.545 -1.65 . . . . 25.0 106.545 174.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -143.97 136.81 27.25 Favored 'General case' 0 C--O 1.22 -0.469 0 N-CA-C 113.222 0.823 . . . . 25.0 113.222 -174.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.2 t -112.97 -17.21 12.52 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 112.816 0.673 . . . . 25.0 112.816 176.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 10.0 t80 32.69 60.94 0.38 Allowed 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 114.451 1.278 . . . . 25.0 114.451 -170.098 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -64.55 135.74 56.31 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 105.272 -2.122 . . . . 25.0 105.272 174.04 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -118.66 15.02 13.61 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.764 0.792 . . . . 25.0 111.846 -171.634 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -62.19 -34.96 77.44 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 114.204 -1.362 . . . . 25.0 111.059 -176.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -143.7 103.79 4.11 Favored 'General case' 0 C--O 1.219 -0.503 0 CA-C-N 115.83 -0.623 . . . . 25.0 110.356 178.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 50.54 26.86 2.59 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 115.841 1.793 . . . . 25.0 115.841 175.313 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 65.54 23.65 70.53 Favored Glycine 0 CA--C 1.523 0.534 0 C-N-CA 120.688 -0.768 . . . . 25.0 113.778 -178.517 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 -83.71 132.46 34.86 Favored 'General case' 0 C--O 1.219 -0.548 0 N-CA-C 103.134 -2.913 . . . . 25.0 103.134 175.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 41.3 t -143.64 160.67 40.26 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 113.749 1.018 . . . . 25.0 113.749 -166.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -70.54 107.29 3.8 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 107.656 -1.239 . . . . 25.0 107.656 170.398 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -136.73 150.51 48.47 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.241 -0.651 . . . . 25.0 109.241 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 5.7 mp -131.46 153.53 49.65 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 107.208 -1.405 . . . . 25.0 107.208 177.58 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -140.88 103.59 4.52 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 106.628 -1.619 . . . . 25.0 106.628 178.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -117.44 174.04 6.36 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.551 -0.537 . . . . 25.0 109.551 -174.386 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -75.58 -162.92 0.22 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.173 -0.467 . . . . 25.0 110.965 -179.185 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -76.57 -170.61 31.97 Favored Glycine 0 N--CA 1.452 -0.244 0 N-CA-C 111.406 -0.678 . . . . 25.0 111.406 -178.414 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -161.26 164.09 30.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 121.973 -0.722 . . . . 25.0 111.523 -178.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 74.9 m80 -78.05 81.74 4.42 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-O 121.097 0.475 . . . . 25.0 109.759 175.432 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -60.25 -29.3 68.68 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.092 -0.706 . . . . 25.0 109.092 176.249 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -60.15 -24.57 64.83 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 115.633 -0.712 . . . . 25.0 111.681 176.121 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 51.8 p -122.23 27.94 7.72 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 112.209 0.448 . . . . 25.0 112.209 178.293 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.7 pp -66.88 159.52 28.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.345 0.593 . . . . 25.0 111.687 -177.293 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 83.1 p -140.33 147.52 39.98 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.197 -1.038 . . . . 25.0 108.197 174.374 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -70.72 -12.75 61.74 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.179 0.514 . . . . 25.0 112.143 -177.752 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -88.68 9.01 77.76 Favored Glycine 0 C--O 1.225 -0.434 0 N-CA-C 114.373 0.509 . . . . 25.0 114.373 -177.276 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -58.4 -45.6 88.06 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 114.411 1.263 . . . . 25.0 114.411 -175.549 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 49.1 pt -90.09 161.0 2.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.199 -0.667 . . . . 25.0 109.199 -179.447 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 10.0 p -58.46 -27.79 34.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 N-CA-C 113.673 0.99 . . . . 25.0 113.673 -176.462 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -88.74 -8.16 54.99 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.671 0.619 . . . . 25.0 112.671 -179.323 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . 59.14 -159.09 0.3 Allowed 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 114.995 -1.002 . . . . 25.0 109.56 -174.445 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . 55.66 27.27 10.33 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 113.581 0.956 . . . . 25.0 113.581 -179.192 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -66.45 130.83 44.51 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.969 -0.752 . . . . 25.0 108.969 178.456 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 11.5 t -70.18 146.24 94.48 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 116.052 -0.522 . . . . 25.0 109.778 179.443 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -72.26 167.94 25.51 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 117.194 -1.404 . . . . 25.0 111.016 173.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.224 0 N-CA-C 105.113 -3.195 . . . . 25.0 105.113 178.132 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 206' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 . . . . . 0 N--CA 1.477 0.891 0 N-CA-C 109.676 -0.49 . . . . 25.0 109.676 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -103.75 178.72 25.1 Favored Glycine 0 N--CA 1.451 -0.307 0 N-CA-C 111.643 -0.583 . . . . 25.0 111.643 -178.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.8 t -133.64 -171.49 2.73 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 106.309 -1.737 . . . . 25.0 106.309 179.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -75.49 140.39 42.78 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 108.061 -1.088 . . . . 25.0 108.061 178.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.49 -175.91 19.17 Favored Glycine 0 C--N 1.323 -0.174 0 N-CA-C 107.371 -2.292 . . . . 25.0 107.371 -170.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -89.03 139.27 30.62 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 119.061 1.431 . . . . 25.0 110.345 -176.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -132.94 152.75 51.87 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-O 121.171 0.51 . . . . 50.0 111.513 -178.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 96.0 t -124.57 114.24 39.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 104.189 -2.522 . . . . 25.0 104.189 170.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 67.9 mt -119.31 133.13 55.89 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.294 -0.632 . . . . 25.0 109.294 -173.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 71.5 mt -126.66 123.7 63.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 108.269 -1.012 . . . . 25.0 108.269 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -87.71 156.77 28.06 Favored Glycine 0 N--CA 1.451 -0.328 0 CA-C-O 121.569 0.538 . . . . 25.0 112.705 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 88.4 p -90.0 -179.1 5.62 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 123.805 0.842 . . . . 25.0 110.786 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -63.82 -26.51 68.66 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 115.498 1.666 . . . . 25.0 115.498 -177.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.9 m -79.23 166.1 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.779 -0.452 . . . . 25.0 109.779 -178.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.46 139.15 28.62 Favored Glycine 0 N--CA 1.453 -0.191 0 N-CA-C 109.991 -1.244 . . . . 25.0 109.991 176.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -141.97 160.99 39.1 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 117.304 0.552 . . . . 50.0 111.395 -173.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -117.57 115.62 25.48 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 105.619 -1.993 . . . . 25.0 105.619 173.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 53.2 mt -127.19 124.37 64.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.59 -0.277 . . . . 25.0 110.339 -172.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 69.6 p -115.58 142.56 46.56 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.887 -0.783 . . . . 25.0 108.887 174.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.62 -21.84 35.86 Favored Glycine 0 C--O 1.24 0.497 0 C-N-CA 121.201 -0.523 . . . . 25.0 114.077 -178.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 74.92 -164.7 54.61 Favored Glycine 0 C--O 1.248 1.001 0 O-C-N 122.201 -0.587 . . . . 25.0 111.764 -176.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.9 170.74 13.1 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 121.802 -0.822 . . . . 25.0 108.968 177.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.73 175.66 49.4 Favored Glycine 0 C--O 1.241 0.578 0 CA-C-N 116.435 -0.348 . . . . 25.0 113.453 178.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -85.85 115.12 23.29 Favored 'General case' 0 CA--C 1.512 -0.488 0 N-CA-C 108.78 -0.822 . . . . 25.0 108.78 -178.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -125.66 153.86 43.21 Favored 'General case' 0 C--O 1.241 0.649 0 N-CA-C 113.351 0.871 . . . . 50.0 113.351 -174.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 45.0 ttt85 -113.93 130.58 56.5 Favored 'General case' 0 CA--C 1.509 -0.612 0 N-CA-C 105.504 -2.036 . . . . 25.0 105.504 167.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.2 mp -118.51 133.89 55.51 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 106.66 -1.607 . . . . 25.0 106.66 176.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -125.25 135.3 52.4 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 105.912 -1.884 . . . . 25.0 105.912 177.101 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -103.17 -30.53 5.35 Favored Glycine 0 C--N 1.32 -0.321 0 N-CA-C 114.694 0.638 . . . . 25.0 114.694 -175.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 67.28 -154.93 52.89 Favored Glycine 0 C--O 1.246 0.878 0 C-N-CA 120.408 -0.901 . . . . 25.0 111.604 -176.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.89 175.31 6.68 Favored 'General case' 0 C--O 1.248 0.987 0 O-C-N 122.225 -0.573 . . . . 25.0 109.926 178.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 81.08 161.22 26.1 Favored Glycine 0 C--O 1.241 0.544 0 N-CA-C 111.08 -0.808 . . . . 25.0 111.08 -178.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -84.36 124.02 30.83 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 106.293 -1.743 . . . . 25.0 106.293 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -124.26 151.53 44.08 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 113.246 0.832 . . . . 50.0 113.246 -171.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 mp -111.81 124.93 53.4 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 106.867 -1.531 . . . . 25.0 106.867 175.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.1 mp -124.97 114.89 19.73 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.703 0.631 . . . . 25.0 112.703 -175.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -105.02 116.47 32.0 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 116.028 -0.533 . . . . 25.0 109.821 179.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -66.94 -45.18 85.74 Favored Glycine 0 C--O 1.248 1.001 0 C-N-CA 120.488 -0.863 . . . . 25.0 115.218 -177.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.98 174.57 42.95 Favored Glycine 0 CA--C 1.519 0.294 0 N-CA-C 111.191 -0.764 . . . . 25.0 111.191 -177.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.84 153.85 10.23 Favored 'General case' 0 C--O 1.238 0.448 0 O-C-N 121.962 -0.728 . . . . 25.0 111.541 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 88.46 167.94 43.69 Favored Glycine 0 C--O 1.239 0.451 0 N-CA-C 110.795 -0.922 . . . . 25.0 110.795 -175.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.0 ptp85 -80.98 145.12 31.36 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 107.389 -1.337 . . . . 25.0 107.389 178.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -140.17 162.88 34.18 Favored 'General case' 0 C--N 1.317 -0.844 0 O-C-N 122.029 -0.42 . . . . 50.0 111.53 -175.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -127.61 115.59 19.01 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 106.235 -1.765 . . . . 25.0 106.235 177.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.8 mp -113.47 127.93 56.27 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.636 0.255 . . . . 25.0 111.253 -172.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.51 115.32 23.21 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.355 -0.98 . . . . 25.0 108.355 -179.03 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -80.36 -40.87 12.4 Favored Glycine 0 N--CA 1.462 0.41 0 C-N-CA 120.288 -0.958 . . . . 25.0 115.377 -175.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.66 -166.79 54.86 Favored Glycine 0 C--O 1.242 0.632 0 C-N-CA 120.775 -0.726 . . . . 25.0 111.505 -175.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 74.4 mt -62.34 157.91 18.68 Favored 'General case' 0 C--O 1.241 0.629 0 C-N-CA 122.618 0.367 . . . . 25.0 111.242 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 91.25 168.59 41.68 Favored Glycine 0 C--O 1.244 0.729 0 N-CA-C 110.725 -0.95 . . . . 25.0 110.725 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.69 125.34 31.77 Favored 'General case' 0 C--O 1.217 -0.619 0 N-CA-C 106.028 -1.842 . . . . 25.0 106.028 177.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -124.64 146.93 48.83 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 109.4 -0.592 . . . . 50.0 109.4 -175.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.6 t -119.59 133.23 55.75 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 108.361 -0.978 . . . . 25.0 108.361 177.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -113.67 124.22 51.78 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 106.22 -1.77 . . . . 25.0 106.22 -178.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 40.0 ttt85 -131.35 152.84 50.23 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 113.717 1.006 . . . . 25.0 113.717 -171.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 28.7 p90 -70.26 155.79 40.16 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.166 -1.379 . . . . 25.0 107.864 167.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -122.68 -19.21 6.34 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 108.973 -0.751 . . . . 25.0 108.973 169.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -129.03 164.01 24.15 Favored 'General case' 0 C--O 1.221 -0.432 0 N-CA-C 107.7 -1.222 . . . . 25.0 107.7 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 37.4 ptt180 -75.31 -16.62 60.4 Favored 'General case' 0 C--O 1.21 -1.013 0 CA-C-O 121.542 0.687 . . . . 25.0 109.991 173.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -106.73 13.35 28.12 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.604 0.716 . . . . 25.0 110.195 -176.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -57.24 -33.07 67.2 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 115.058 1.503 . . . . 25.0 115.058 -173.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 36.8 p -145.82 97.85 3.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.793 0.33 . . . . 25.0 111.228 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -142.07 166.65 24.11 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.933 -0.395 . . . . 25.0 109.933 177.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -132.67 153.03 51.5 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 107.479 -1.304 . . . . 25.0 107.479 178.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 94.5 p -155.59 169.13 10.86 Favored Pre-proline 0 C--N 1.318 -0.761 0 N-CA-C 106.237 -1.764 . . . . 25.0 106.237 -175.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -69.9 -10.63 28.9 Favored 'Trans proline' 0 CA--C 1.538 0.676 0 C-N-CA 116.12 -2.12 . . . . 25.0 112.852 175.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 70.0 mt -79.85 -6.09 56.71 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 120.994 0.426 . . . . 25.0 110.509 177.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 135.65 169.86 11.94 Favored Glycine 0 N--CA 1.45 -0.373 0 CA-C-O 121.799 0.666 . . . . 25.0 112.641 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.1 t -95.86 138.29 33.71 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.594 -0.891 . . . . 25.0 108.594 177.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -131.13 20.45 4.88 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 106.901 -1.518 . . . . 25.0 106.901 178.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 85.1 p -78.11 158.95 28.93 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 115.531 -0.759 . . . . 25.0 110.589 -178.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -98.52 155.49 17.25 Favored 'General case' 0 C--O 1.241 0.637 0 CA-C-O 120.913 0.387 . . . . 50.0 110.692 178.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.4 mp -124.34 135.56 53.42 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 106.674 -1.602 . . . . 25.0 106.674 177.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 56.6 mt -107.93 145.04 15.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 N-CA-C 103.289 -2.856 . . . . 25.0 103.289 175.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 83.1 mt -110.61 136.69 49.33 Favored 'General case' 0 C--N 1.318 -0.782 0 O-C-N 123.851 0.719 . . . . 25.0 111.36 -172.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 65.78 -60.24 0.29 Allowed 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 126.316 1.847 . . . . 25.0 114.894 176.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 28.2 t80 59.2 131.48 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 117.484 2.402 . . . . 25.0 117.484 173.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -102.12 96.06 6.48 Favored Pre-proline 0 N--CA 1.473 0.713 0 O-C-N 121.29 -0.881 . . . . 25.0 109.43 176.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -68.94 -10.93 30.53 Favored 'Trans proline' 0 C--N 1.348 0.5 0 N-CA-C 115.135 1.167 . . . . 25.0 115.135 -176.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 41.0 t -79.38 -14.46 58.95 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 121.82 -0.55 . . . . 25.0 112.318 176.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -137.95 -33.29 0.71 Allowed 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 115.544 1.683 . . . . 25.0 115.544 -170.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -85.8 158.53 19.96 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 113.788 1.032 . . . . 50.0 113.788 -169.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 45.3 tptt -129.12 144.37 51.18 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.382 0.673 . . . . 25.0 111.478 -176.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 51.5 mt -127.08 127.01 69.15 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 N-CA-C 107.603 -1.258 . . . . 25.0 107.603 177.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -111.0 131.77 54.77 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.498 -0.556 . . . . 25.0 109.498 178.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 26.9 m -131.8 11.04 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 CA-C-O 121.639 0.733 . . . . 25.0 111.913 -176.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.66 -29.68 62.55 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 117.41 2.374 . . . . 25.0 117.41 -172.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -76.92 -10.94 59.71 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 113.786 1.032 . . . . 25.0 113.786 -178.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 21.8 mt -85.45 -43.71 13.37 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 106.134 -1.802 . . . . 25.0 106.134 179.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.68 0 CA-C-N 114.272 -1.331 . . . . 25.0 112.356 -179.559 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 . . . . . 0 N--CA 1.478 0.928 0 N-CA-C 112.135 0.42 . . . . 25.0 112.135 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 100.66 1.0 55.33 Favored Glycine 0 C--O 1.236 0.25 0 N-CA-C 116.279 1.271 . . . . 25.0 116.279 171.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -133.08 158.82 41.82 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.676 0.238 . . . . 25.0 110.384 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 53.73 43.53 30.92 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 113.236 0.828 . . . . 25.0 113.236 176.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 87.03 3.47 82.78 Favored Glycine 0 C--O 1.236 0.221 0 C-N-CA 120.973 -0.632 . . . . 25.0 114.101 173.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 72.1 p -100.28 141.45 33.11 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 106.96 -1.496 . . . . 25.0 106.96 176.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 13.5 mt -82.58 160.65 22.49 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 121.841 -0.537 . . . . 25.0 111.906 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -154.37 167.66 29.23 Favored 'General case' 0 C--O 1.242 0.678 0 N-CA-C 104.841 -2.281 . . . . 25.0 104.841 166.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 10.7 p -116.99 149.44 19.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 107.416 -1.328 . . . . 25.0 107.416 177.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 24.8 m -140.94 161.98 36.56 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 107.326 -1.361 . . . . 25.0 107.326 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 77.6 mt . . . . . 0 C--N 1.321 -0.637 0 N-CA-C 108.152 -1.055 . . . . 25.0 108.152 -179.772 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 . . . . . 0 CA--C 1.511 -0.533 0 N-CA-C 108.064 -1.087 . . . . 25.0 108.064 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 26.1 m -133.67 146.66 51.07 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 106.758 -1.571 . . . . 25.0 106.758 -176.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -133.81 148.67 51.36 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.508 -0.552 . . . . 25.0 109.508 -177.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 8.1 mp -120.75 120.31 35.28 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 103.794 -2.669 . . . . 25.0 103.794 174.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -128.86 154.6 46.32 Favored 'General case' 0 CA--C 1.507 -0.704 0 O-C-N 123.115 0.259 . . . . 25.0 111.117 -174.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 90.6 p -140.47 -19.46 0.86 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 116.159 1.911 . . . . 25.0 116.159 -177.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 16.4 t80 . . . . . 0 CA--C 1.546 0.792 0 CA-C-O 121.477 0.656 . . . . 25.0 111.868 -172.728 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 15.4 m . . . . . 0 N--CA 1.451 -0.4 0 CA-C-O 120.755 0.312 . . . . 25.0 111.504 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -99.31 106.08 18.15 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.85 -0.796 . . . . 25.0 108.85 177.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -133.09 154.55 50.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.166 -0.47 . . . . 25.0 110.156 -172.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.5 mp -134.7 168.01 19.79 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 109.243 -0.651 . . . . 25.0 109.243 -179.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -144.04 157.51 44.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.972 0.415 . . . . 25.0 110.609 176.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 41.1 mt -131.97 122.01 24.86 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 105.442 -2.058 . . . . 25.0 105.442 176.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -113.22 131.36 55.93 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 108.397 -0.964 . . . . 25.0 108.397 -178.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 83.25 8.2 85.65 Favored Glycine 0 C--O 1.221 -0.712 0 N-CA-C 110.739 -0.944 . . . . 25.0 110.739 -177.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -57.35 137.92 55.5 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.369 0.877 . . . . 25.0 113.369 -174.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 80.5 m80 -76.91 68.19 3.05 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.9 0.857 . . . . 25.0 109.829 171.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -62.76 -27.41 69.27 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.111 -0.95 . . . . 25.0 109.927 179.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.22 -26.56 67.82 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.825 -0.625 . . . . 25.0 111.855 177.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 46.4 p -124.25 21.09 8.85 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 112.782 0.66 . . . . 25.0 112.782 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.8 pp -64.2 149.36 48.05 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 122.064 -0.397 . . . . 25.0 110.998 -177.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 75.1 m -141.32 150.18 42.16 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.087 0.47 . . . . 25.0 110.111 178.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.91 -8.94 48.87 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 113.151 0.797 . . . . 25.0 113.151 -177.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -67.5 -22.74 73.38 Favored Glycine 0 CA--C 1.52 0.355 0 C-N-CA 121.027 -0.606 . . . . 25.0 112.895 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -66.26 -27.84 68.26 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 114.853 1.427 . . . . 25.0 114.853 -176.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 43.3 pt -92.0 154.33 3.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 O-C-N 121.838 -0.539 . . . . 25.0 111.092 -176.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 11.0 p -57.92 -31.74 41.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 N-CA-C 113.015 0.746 . . . . 25.0 113.015 -176.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 . . . . . 0 C--N 1.326 -0.419 0 O-C-N 122.132 -0.355 . . . . 25.0 111.441 -177.524 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 . . . . . 0 N--CA 1.478 0.934 0 N-CA-C 113.23 0.826 . . . . 25.0 113.23 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -96.23 171.21 28.0 Favored Glycine 0 N--CA 1.452 -0.279 0 CA-C-O 121.904 0.724 . . . . 25.0 114.272 -175.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.5 t -140.6 -163.43 1.53 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 105.208 -2.145 . . . . 25.0 105.208 178.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -69.16 155.46 40.35 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 119.191 0.905 . . . . 25.0 109.182 176.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 92.04 -177.91 40.16 Favored Glycine 0 C--O 1.235 0.17 0 N-CA-C 109.487 -1.445 . . . . 25.0 109.487 -173.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -93.64 127.63 39.41 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 117.75 0.775 . . . . 25.0 109.812 -175.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -119.64 153.25 35.8 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 120.695 0.283 . . . . 50.0 110.722 -178.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 65.6 t -123.65 111.21 28.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 104.941 -2.244 . . . . 25.0 104.941 171.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 49.7 mt -115.7 135.0 54.48 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.741 -0.837 . . . . 25.0 108.741 -173.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 46.4 mm -125.29 136.95 59.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 105.498 -2.038 . . . . 25.0 105.498 -176.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -90.18 178.65 43.44 Favored Glycine 0 N--CA 1.452 -0.241 0 CA-C-O 121.708 0.616 . . . . 25.0 113.417 -177.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 98.2 p -126.31 178.16 6.0 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.034 -0.728 . . . . 25.0 109.034 179.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -59.79 -41.34 90.95 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 114.474 1.287 . . . . 25.0 114.474 -176.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.4 m -71.04 164.88 3.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.874 0.368 . . . . 25.0 111.615 -177.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -69.67 139.27 31.38 Favored Glycine 0 CA--C 1.517 0.211 0 N-CA-C 110.926 -0.87 . . . . 25.0 110.926 177.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -139.67 164.35 30.16 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.282 0.563 . . . . 50.0 112.007 -173.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -129.79 113.99 15.38 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 105.511 -2.033 . . . . 25.0 105.511 175.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 55.8 mt -132.78 124.85 51.54 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 CA-C-O 120.763 0.316 . . . . 25.0 110.933 -172.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 91.0 p -113.71 146.74 39.37 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.633 -0.506 . . . . 25.0 109.633 174.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -91.95 -22.48 30.36 Favored Glycine 0 C--O 1.238 0.398 0 C-N-CA 120.869 -0.681 . . . . 25.0 114.277 -178.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.9 -159.38 53.57 Favored Glycine 0 C--O 1.245 0.797 0 C-N-CA 120.91 -0.662 . . . . 25.0 112.095 -177.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.88 172.09 10.55 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 109.073 -0.714 . . . . 25.0 109.073 178.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.76 171.81 48.53 Favored Glycine 0 C--O 1.242 0.619 0 CA-C-N 116.283 -0.417 . . . . 25.0 112.174 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -90.55 112.82 24.65 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 107.128 -1.434 . . . . 25.0 107.128 -178.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -118.67 157.58 27.16 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 113.96 1.096 . . . . 50.0 113.96 -172.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.7 mtp180 -112.94 133.91 54.69 Favored 'General case' 0 CA--C 1.505 -0.753 0 N-CA-C 105.184 -2.154 . . . . 25.0 105.184 168.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.4 mp -129.71 148.73 51.62 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 107.11 -1.441 . . . . 25.0 107.11 178.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -146.11 144.6 30.1 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 105.651 -1.981 . . . . 25.0 105.651 175.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -105.46 -21.29 8.88 Favored Glycine 0 N--CA 1.451 -0.321 0 O-C-N 123.516 0.51 . . . . 25.0 112.053 -178.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 66.37 -153.86 52.02 Favored Glycine 0 C--O 1.242 0.635 0 N-CA-C 111.021 -0.832 . . . . 25.0 111.021 -175.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.32 175.72 7.38 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 122.221 -0.576 . . . . 25.0 109.964 178.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 76.85 166.77 25.54 Favored Glycine 0 C--O 1.238 0.378 0 N-CA-C 111.447 -0.661 . . . . 25.0 111.447 -177.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -83.27 135.48 34.74 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 106.886 -1.524 . . . . 25.0 106.886 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -135.96 153.41 51.41 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 113.331 0.863 . . . . 50.0 113.331 -173.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.0 mp -111.27 125.81 54.22 Favored 'General case' 0 C--O 1.239 0.548 0 N-CA-C 106.651 -1.611 . . . . 25.0 106.651 176.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.6 mp -130.37 124.68 32.76 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 112.333 0.494 . . . . 25.0 112.333 -176.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -116.32 128.78 55.85 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-O 121.144 0.497 . . . . 25.0 110.404 178.465 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -80.4 -43.64 9.28 Favored Glycine 0 C--O 1.248 0.999 0 N-CA-C 115.998 1.159 . . . . 25.0 115.998 -175.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.03 -174.7 54.38 Favored Glycine 0 C--O 1.247 0.944 0 N-CA-C 111.403 -0.679 . . . . 25.0 111.403 -177.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.48 162.6 10.01 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 122.406 -0.467 . . . . 25.0 110.399 177.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.19 174.88 46.48 Favored Glycine 0 N--CA 1.461 0.323 0 N-CA-C 110.364 -1.094 . . . . 25.0 110.364 -177.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.7 ptp85 -100.83 124.29 46.27 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 106.935 -1.505 . . . . 25.0 106.935 179.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -123.56 158.62 30.99 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.14 -0.482 . . . . 50.0 112.206 -168.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -124.63 112.62 17.0 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 106.841 -1.54 . . . . 25.0 106.841 175.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.7 mp -110.98 137.54 48.49 Favored 'General case' 0 C--O 1.209 -1.034 0 N-CA-C 108.638 -0.875 . . . . 25.0 108.638 -175.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.2 m -124.18 125.44 44.45 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 107.502 -1.295 . . . . 25.0 107.502 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -84.94 -40.56 8.03 Favored Glycine 0 C--O 1.239 0.407 0 C-N-CA 119.608 -1.282 . . . . 25.0 113.561 -176.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.0 -165.17 54.8 Favored Glycine 0 C--O 1.243 0.659 0 N-CA-C 110.45 -1.06 . . . . 25.0 110.45 -176.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 89.5 mt -63.35 157.52 22.83 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 122.472 -0.428 . . . . 25.0 110.523 178.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 90.51 170.99 43.76 Favored Glycine 0 C--O 1.248 0.993 0 CA-C-N 115.548 -0.751 . . . . 25.0 111.543 -178.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.89 124.6 32.55 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 107.008 -1.478 . . . . 25.0 107.008 178.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -121.33 139.78 52.97 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.509 -0.552 . . . . 50.0 109.509 -175.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.2 t -116.17 130.13 56.65 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.303 -0.999 . . . . 25.0 108.303 178.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -110.8 128.15 55.65 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 106.144 -1.798 . . . . 25.0 106.144 -177.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 56.5 ttt-85 -127.75 146.16 50.67 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.442 0.639 . . . . 25.0 112.142 -171.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -71.87 148.59 45.99 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.662 -0.866 . . . . 25.0 108.662 170.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -98.79 -38.21 9.15 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 106.003 -1.851 . . . . 25.0 106.003 168.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 52.7 tp -140.76 158.67 43.63 Favored 'General case' 0 C--O 1.221 -0.43 0 N-CA-C 105.632 -1.988 . . . . 25.0 105.632 175.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 40.8 ptt180 -60.7 -23.76 65.13 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 121.456 0.646 . . . . 25.0 111.968 178.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -80.6 2.11 26.99 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 122.118 -0.364 . . . . 25.0 111.653 -177.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -60.19 -31.67 70.36 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 111.888 0.329 . . . . 25.0 111.888 178.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 57.2 p -139.73 91.16 2.45 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.385 0.612 . . . . 25.0 112.042 -177.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 36.6 p-80 -148.12 163.71 36.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 122.14 -0.35 . . . . 25.0 110.785 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 10.9 mtm180 -133.55 160.3 37.87 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.081 -0.711 . . . . 25.0 109.081 177.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 96.4 p -152.15 166.5 15.16 Favored Pre-proline 0 C--N 1.32 -0.695 0 N-CA-C 106.469 -1.678 . . . . 25.0 106.469 -177.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -70.31 -9.67 26.42 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 115.901 -2.266 . . . . 25.0 112.726 175.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 68.3 mt -86.12 -5.83 59.13 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 122.65 0.38 . . . . 25.0 110.812 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 142.77 169.61 12.4 Favored Glycine 0 C--O 1.236 0.278 0 CA-C-O 121.859 0.7 . . . . 25.0 113.021 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.5 t -100.22 143.64 30.17 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.742 -0.466 . . . . 25.0 109.742 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -134.8 19.11 3.52 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 105.775 -1.935 . . . . 25.0 105.775 175.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 41.8 t -75.4 157.2 34.53 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.634 -1.166 . . . . 25.0 108.82 -179.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -109.07 151.35 26.5 Favored 'General case' 0 CA--C 1.503 -0.858 0 CA-C-O 121.372 0.606 . . . . 50.0 110.377 -179.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.5 mp -118.7 135.26 54.58 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 105.842 -1.91 . . . . 25.0 105.842 -179.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 41.2 mt -107.98 137.11 41.03 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.726 0 N-CA-C 103.702 -2.703 . . . . 25.0 103.702 172.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 60.5 mt -108.26 144.08 36.23 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 115.151 -0.932 . . . . 25.0 109.122 -173.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 54.98 47.06 23.0 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 124.478 1.111 . . . . 25.0 109.529 176.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -70.79 130.0 40.55 Favored 'General case' 0 C--O 1.241 0.652 0 CA-C-N 114.792 -1.095 . . . . 25.0 113.472 -174.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -97.3 99.61 6.5 Favored Pre-proline 0 N--CA 1.469 0.497 0 CA-C-N 115.647 -0.706 . . . . 25.0 110.384 176.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -69.84 -11.24 30.33 Favored 'Trans proline' 0 CA--C 1.534 0.51 0 C-N-CA 116.463 -1.892 . . . . 25.0 113.505 178.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.5 t -84.64 -9.08 58.6 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 116.335 -0.393 . . . . 25.0 111.808 178.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -139.66 -34.27 0.57 Allowed 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 115.208 1.559 . . . . 25.0 115.208 -172.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -95.3 150.95 19.69 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.681 0.623 . . . . 50.0 112.681 -168.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 42.3 tptt -133.68 150.7 51.54 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.947 -0.57 . . . . 25.0 110.494 -174.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 15.0 mt -126.98 121.73 58.71 Favored 'Isoleucine or valine' 0 C--O 1.242 0.663 0 CA-C-O 121.314 0.578 . . . . 25.0 111.599 -179.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.45 119.52 25.23 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.278 -1.378 . . . . 25.0 107.278 176.011 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 31.0 m -132.67 17.71 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 CA-C-O 121.451 0.644 . . . . 25.0 111.876 -176.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.9 t -57.23 -36.97 71.56 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 114.194 1.183 . . . . 25.0 114.194 -174.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.51 -17.36 64.15 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 115.24 1.57 . . . . 25.0 115.24 -176.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 30.1 mt -71.17 -45.6 63.14 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 106.706 -1.59 . . . . 25.0 106.706 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.459 0 CA-C-N 113.484 -1.689 . . . . 25.0 112.262 179.08 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 21.8 m120 . . . . . 0 C--O 1.22 -0.454 0 N-CA-C 110.086 -0.339 . . . . 25.0 110.086 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 79.24 3.58 88.53 Favored Glycine 0 C--O 1.236 0.229 0 N-CA-C 116.439 1.336 . . . . 25.0 116.439 179.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.421 ' HA ' ' HB3' ' A' ' 119' ' ' TYR . 58.5 m-85 -137.91 150.48 47.12 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 117.257 0.528 . . . . 25.0 111.341 -177.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 53.34 44.95 29.4 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 114.176 1.176 . . . . 25.0 114.176 173.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.06 32.09 21.53 Favored Glycine 0 N--CA 1.454 -0.121 0 C-N-CA 120.418 -0.896 . . . . 25.0 113.461 176.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 59.7 p -135.49 146.56 48.27 Favored 'General case' 0 C--O 1.218 -0.565 0 N-CA-C 105.787 -1.931 . . . . 25.0 105.787 177.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 61.7 mt -86.34 153.76 21.71 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 116.528 2.047 . . . . 25.0 116.528 -172.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -136.06 159.6 41.2 Favored 'General case' 0 C--O 1.241 0.642 0 N-CA-C 104.164 -2.532 . . . . 25.0 104.164 167.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 11.2 p -124.23 153.28 30.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 107.883 -1.154 . . . . 25.0 107.883 -178.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 44.7 m -144.53 157.02 44.42 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 107.539 -1.282 . . . . 25.0 107.539 176.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 57.5 mt . . . . . 0 C--N 1.324 -0.507 0 N-CA-C 109.437 -0.579 . . . . 25.0 109.437 -178.371 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 89.9 mtt-85 . . . . . 0 CA--C 1.514 -0.435 0 N-CA-C 106.245 -1.761 . . . . 25.0 106.245 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 15.2 m -133.95 148.45 51.17 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.224 -0.658 . . . . 25.0 109.224 -176.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -135.32 147.65 49.22 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.526 -0.546 . . . . 25.0 109.526 -178.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 68.0 mt -128.29 137.08 51.81 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.307 -0.627 . . . . 25.0 109.307 179.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.4 tmtp? -135.41 127.72 30.21 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-O 119.082 -0.485 . . . . 25.0 110.463 -177.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 20.4 t -100.56 -28.81 12.68 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 112.912 0.708 . . . . 25.0 112.912 178.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . 0.421 ' HB3' ' HA ' ' A' ' 99' ' ' TYR . 30.6 t80 . . . . . 0 N--CA 1.474 0.768 0 CA-C-O 122.256 1.027 . . . . 25.0 111.116 -179.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 35.7 t . . . . . 0 CA--C 1.513 -0.459 0 N-CA-C 115.007 1.484 . . . . 25.0 115.007 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -82.36 126.53 32.28 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 107.287 -1.375 . . . . 25.0 107.287 173.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -145.35 147.97 32.87 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 107.819 -1.178 . . . . 25.0 107.819 -174.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 6.9 mt -136.2 163.06 31.25 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 122.691 0.396 . . . . 25.0 110.085 -176.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -144.82 152.71 40.72 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 109.562 -0.533 . . . . 25.0 109.562 177.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 78.1 mt -132.81 144.64 50.37 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 106.592 -1.632 . . . . 25.0 106.592 177.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -129.06 155.54 45.26 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 107.407 -1.331 . . . . 25.0 107.407 177.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 72.21 28.64 67.78 Favored Glycine 0 CA--C 1.509 -0.337 0 N-CA-C 111.456 -0.658 . . . . 25.0 111.456 176.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 29.1 m120 -69.59 142.85 53.46 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.499 0.666 . . . . 25.0 111.593 -177.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 65.2 m80 -75.64 92.08 2.92 Favored 'General case' 0 C--O 1.214 -0.771 0 N-CA-C 107.135 -1.432 . . . . 25.0 107.135 170.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -60.86 -31.27 70.73 Favored 'General case' 0 C--O 1.22 -0.496 0 N-CA-C 109.212 -0.662 . . . . 25.0 109.212 177.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.91 -28.82 69.79 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.216 -0.902 . . . . 25.0 111.875 178.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 64.1 p -130.51 30.28 4.72 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 113.138 0.792 . . . . 25.0 113.138 -178.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.0 pp -62.68 147.74 48.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.377 0.608 . . . . 25.0 111.42 -175.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 43.9 t -155.47 154.08 31.29 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.399 -0.963 . . . . 25.0 108.399 -177.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -94.1 -7.27 42.98 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-O 121.118 0.485 . . . . 25.0 111.164 178.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -80.05 14.51 20.4 Favored Glycine 0 CA--C 1.522 0.481 0 N-CA-C 115.89 1.116 . . . . 25.0 115.89 -174.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 57.0 m-20 -68.07 -25.48 65.37 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 113.219 0.822 . . . . 25.0 113.219 -176.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 48.5 pt -83.04 158.26 3.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 121.968 -0.457 . . . . 25.0 111.281 -177.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 10.4 p -58.7 -33.23 48.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 113.732 1.012 . . . . 25.0 113.732 -177.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 . . . . . 0 C--N 1.326 -0.433 0 O-C-N 122.044 -0.41 . . . . 25.0 111.472 -179.293 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 22.1 pt20 . . . . . 0 N--CA 1.477 0.911 0 N-CA-C 111.535 0.198 . . . . 25.0 111.535 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -90.2 162.38 29.63 Favored Glycine 0 N--CA 1.449 -0.483 0 CA-C-O 121.939 0.744 . . . . 25.0 113.849 -174.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.1 t -136.52 -170.51 2.69 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 105.422 -2.066 . . . . 25.0 105.422 178.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -70.64 145.87 50.37 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 121.218 -0.926 . . . . 25.0 109.252 177.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 101.27 -176.35 26.62 Favored Glycine 0 C--N 1.323 -0.185 0 N-CA-C 109.615 -1.394 . . . . 25.0 109.615 -172.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 62.3 m-20 -90.8 131.08 36.67 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 118.318 1.059 . . . . 25.0 110.082 -175.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -124.53 154.02 41.22 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.173 0.511 . . . . 50.0 111.421 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 93.5 t -125.54 114.24 38.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 104.554 -2.387 . . . . 25.0 104.554 171.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 44.5 mt -122.26 138.43 54.5 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.756 -0.831 . . . . 25.0 108.756 -173.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 39.8 mm -128.14 130.86 69.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 107.668 -1.234 . . . . 25.0 107.668 -177.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -90.56 175.39 40.6 Favored Glycine 0 C--O 1.229 -0.171 0 CA-C-O 121.774 0.652 . . . . 25.0 113.099 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 91.0 p -122.62 -179.53 4.25 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 123.415 0.686 . . . . 25.0 109.793 -179.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -67.15 -27.09 67.01 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 115.421 1.638 . . . . 25.0 115.421 -176.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.7 m -76.06 165.97 2.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 C-N-CA 120.916 -0.314 . . . . 25.0 110.388 -179.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.1 137.55 28.31 Favored Glycine 0 C--O 1.234 0.122 0 N-CA-C 110.393 -1.083 . . . . 25.0 110.393 176.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -140.64 166.67 24.12 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.427 0.632 . . . . 50.0 111.999 -174.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -132.11 116.99 17.74 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 105.016 -2.216 . . . . 25.0 105.016 175.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.3 mt -135.56 116.57 19.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.132 0.491 . . . . 25.0 110.646 -173.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 98.6 p -107.4 147.46 30.36 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.661 -0.866 . . . . 25.0 108.661 175.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -94.75 -23.26 21.39 Favored Glycine 0 N--CA 1.458 0.148 0 C-N-CA 121.083 -0.58 . . . . 25.0 114.101 -178.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.94 -160.47 54.06 Favored Glycine 0 C--O 1.243 0.7 0 C-N-CA 120.891 -0.671 . . . . 25.0 111.601 -177.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.86 173.93 8.48 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 121.921 -0.752 . . . . 25.0 109.449 178.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.74 170.95 47.17 Favored Glycine 0 C--O 1.241 0.565 0 CA-C-N 116.582 -0.281 . . . . 25.0 113.512 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -84.55 113.09 20.99 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.54 -0.911 . . . . 25.0 108.54 -178.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -118.41 160.68 21.27 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 113.88 1.067 . . . . 50.0 113.88 -174.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -123.41 127.45 48.45 Favored 'General case' 0 CA--C 1.51 -0.594 0 N-CA-C 104.105 -2.554 . . . . 25.0 104.105 170.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.3 mp -127.93 146.44 50.64 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 106.795 -1.557 . . . . 25.0 106.795 -178.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -140.99 141.06 34.43 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 105.043 -2.206 . . . . 25.0 105.043 175.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -103.36 -23.28 8.53 Favored Glycine 0 N--CA 1.447 -0.591 0 N-CA-C 111.899 -0.48 . . . . 25.0 111.899 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 65.84 -158.14 47.64 Favored Glycine 0 C--O 1.24 0.522 0 C-N-CA 120.652 -0.785 . . . . 25.0 111.517 -175.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.69 173.51 8.92 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.968 -0.725 . . . . 25.0 110.049 178.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.92 166.64 36.05 Favored Glycine 0 C--O 1.237 0.34 0 CA-C-N 115.892 -0.595 . . . . 25.0 112.045 -178.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -81.79 130.15 34.97 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 107.062 -1.459 . . . . 25.0 107.062 -178.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -134.19 152.44 51.83 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 113.794 1.035 . . . . 50.0 113.794 -173.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.8 mp -112.63 118.3 34.67 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.183 -1.414 . . . . 25.0 107.183 176.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.6 mp -125.21 124.87 42.66 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 112.52 0.563 . . . . 25.0 112.52 -175.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -116.7 124.82 50.62 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-O 121.095 0.474 . . . . 25.0 110.906 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -78.73 -44.03 10.96 Favored Glycine 0 C--O 1.243 0.698 0 N-CA-C 115.255 0.862 . . . . 25.0 115.255 -177.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.63 -171.01 47.87 Favored Glycine 0 C--O 1.245 0.805 0 C-N-CA 121.171 -0.537 . . . . 25.0 112.793 -178.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.86 158.51 21.84 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 122.542 -0.387 . . . . 25.0 111.193 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.29 171.86 45.59 Favored Glycine 0 N--CA 1.464 0.514 0 N-CA-C 109.754 -1.338 . . . . 25.0 109.754 -175.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.9 ptp85 -95.67 130.09 42.67 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 107.521 -1.288 . . . . 25.0 107.521 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -130.35 164.22 25.16 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 112.509 0.559 . . . . 50.0 112.509 -168.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.8 mpt_? -131.78 126.07 33.49 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 105.262 -2.125 . . . . 25.0 105.262 178.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.6 mp -127.36 102.18 6.79 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 123.463 0.477 . . . . 25.0 111.568 -172.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 31.7 m -87.99 117.9 27.17 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.813 -0.439 . . . . 25.0 109.813 179.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -84.98 -43.13 6.84 Favored Glycine 0 C--O 1.241 0.553 0 C-N-CA 120.123 -1.037 . . . . 25.0 112.083 -178.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 69.17 -162.05 51.84 Favored Glycine 0 C--O 1.24 0.514 0 C-N-CA 121.098 -0.572 . . . . 25.0 111.832 -178.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 95.5 mt -64.58 156.85 28.6 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 122.229 -0.571 . . . . 25.0 110.95 179.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.17 164.62 32.31 Favored Glycine 0 C--O 1.243 0.703 0 CA-C-N 115.251 -0.886 . . . . 25.0 111.127 -178.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.89 110.57 19.51 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 106.409 -1.7 . . . . 25.0 106.409 178.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -110.39 148.63 31.62 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.182 -0.463 . . . . 50.0 109.89 -173.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.8 t -124.54 139.53 53.79 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 121.757 0.789 . . . . 25.0 108.934 175.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -121.58 128.02 51.53 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 106.445 -1.687 . . . . 25.0 106.445 -177.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 56.8 ttt85 -126.02 145.59 50.24 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.949 0.881 . . . . 25.0 112.64 -171.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -73.65 150.92 41.0 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 114.747 -1.115 . . . . 25.0 109.29 175.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -110.85 -40.01 4.66 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 106.42 -1.696 . . . . 25.0 106.42 168.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 41.4 tp -142.72 153.88 43.76 Favored 'General case' 0 C--O 1.221 -0.405 0 N-CA-C 108.324 -0.991 . . . . 25.0 108.324 178.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 38.2 ptt180 -61.01 -24.96 66.56 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 121.649 0.738 . . . . 25.0 112.783 178.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -83.71 1.74 41.16 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.215 0.531 . . . . 25.0 111.355 -175.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -67.47 -23.2 65.47 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 122.085 -0.384 . . . . 25.0 110.753 178.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.3 m -125.32 42.54 3.26 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 113.473 0.916 . . . . 25.0 113.473 -174.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 59.0 t60 -100.44 142.29 32.12 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 113.32 0.859 . . . . 25.0 113.32 -176.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 30.1 mtm180 -135.86 155.09 50.84 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 108.105 -1.072 . . . . 25.0 108.105 173.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 82.0 p -146.92 168.41 11.47 Favored Pre-proline 0 C--N 1.325 -0.476 0 N-CA-C 105.758 -1.941 . . . . 25.0 105.758 178.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_endo -69.82 -11.24 30.36 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 115.449 -2.567 . . . . 25.0 113.462 178.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 78.2 mt -85.52 -7.32 58.95 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.6 0.238 . . . . 25.0 111.043 179.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 153.53 167.21 15.56 Favored Glycine 0 C--O 1.229 -0.176 0 C-N-CA 120.792 -0.718 . . . . 25.0 113.669 178.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.2 t -103.91 144.52 31.41 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.349 -0.611 . . . . 25.0 109.349 178.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -134.08 11.63 3.91 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 106.712 -1.588 . . . . 25.0 106.712 177.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.6 t -92.09 177.36 6.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.736 -1.12 . . . . 25.0 111.104 -175.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -116.17 158.26 23.55 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.818 -0.628 . . . . 50.0 112.683 -171.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.9 mp -119.79 135.21 54.95 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 106.794 -1.558 . . . . 25.0 106.794 173.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 53.8 mt -105.41 141.88 19.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 N-CA-C 104.205 -2.517 . . . . 25.0 104.205 174.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -117.89 142.11 47.69 Favored 'General case' 0 C--N 1.314 -0.947 0 N-CA-C 108.326 -0.99 . . . . 25.0 108.326 -175.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 56.24 46.45 21.23 Favored 'General case' 0 C--O 1.248 0.98 0 CA-C-O 121.921 0.867 . . . . 25.0 110.368 177.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -83.03 128.86 34.86 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.884 -1.053 . . . . 25.0 109.594 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -99.59 103.48 21.58 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-N 115.701 -0.681 . . . . 25.0 109.807 179.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -69.95 7.01 1.15 Allowed 'Trans proline' 0 CA--C 1.541 0.838 0 N-CA-C 115.512 1.312 . . . . 25.0 115.512 179.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 10.7 t -110.36 -6.2 15.04 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 115.983 -0.553 . . . . 25.0 111.172 177.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -141.7 -34.86 0.46 Allowed 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 114.079 1.14 . . . . 25.0 114.079 -174.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -88.6 158.73 18.17 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.01 0.433 . . . . 50.0 111.047 -173.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 46.9 tptt -132.94 146.8 52.11 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 116.504 -0.316 . . . . 25.0 111.238 -178.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 19.3 mt -123.63 112.14 32.0 Favored 'Isoleucine or valine' 0 C--O 1.243 0.735 0 N-CA-C 109.116 -0.698 . . . . 25.0 109.116 175.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -79.62 121.02 24.76 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 106.841 -1.54 . . . . 25.0 106.841 176.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 17.0 m -130.37 26.6 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 CA-C-O 121.622 0.725 . . . . 25.0 111.552 -175.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.23 -29.58 68.84 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 114.316 1.228 . . . . 25.0 114.316 -175.419 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -74.19 -19.68 60.46 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 113.033 0.753 . . . . 25.0 113.033 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 14.4 mt -84.08 -28.76 27.34 Favored 'General case' 0 C--O 1.216 -0.698 0 N-CA-C 106.232 -1.766 . . . . 25.0 106.232 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.587 0 CA-C-N 113.77 -1.559 . . . . 25.0 116.926 166.702 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.5 t30 . . . . . 0 N--CA 1.492 1.651 0 N-CA-C 107.654 -1.239 . . . . 25.0 107.654 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 105.78 -1.75 38.92 Favored Glycine 0 N--CA 1.46 0.261 0 CA-C-N 116.229 -0.441 . . . . 25.0 114.145 175.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -139.71 159.44 42.17 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.316 -0.994 . . . . 25.0 108.316 178.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 58.13 48.73 12.47 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.807 0.843 . . . . 25.0 112.495 -178.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 74.2 27.0 66.99 Favored Glycine 0 C--N 1.329 0.192 0 C-N-CA 121.044 -0.598 . . . . 25.0 114.262 174.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 44.0 p -126.5 157.21 39.29 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.829 -1.175 . . . . 25.0 107.829 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.8 mt -97.59 161.52 13.73 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 114.887 1.44 . . . . 25.0 114.887 -174.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -147.45 150.87 35.44 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 104.515 -2.402 . . . . 25.0 104.515 171.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 7.1 p -135.18 154.84 36.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 110.162 -0.31 . . . . 25.0 110.162 -175.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 46.4 m -147.43 160.75 42.21 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.03 -1.1 . . . . 25.0 108.03 177.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 25.5 mt . . . . . 0 C--N 1.324 -0.518 0 N-CA-C 108.486 -0.931 . . . . 25.0 108.486 179.627 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 41.2 mtt85 . . . . . 0 CA--C 1.51 -0.569 0 N-CA-C 108.834 -0.802 . . . . 25.0 108.834 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 7.2 m -126.49 147.58 49.81 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 106.707 -1.59 . . . . 25.0 106.707 178.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -134.37 145.26 48.8 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 107.639 -1.245 . . . . 25.0 107.639 179.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.8 mp -133.41 145.96 50.77 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.378 -0.601 . . . . 25.0 109.378 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -138.15 131.78 30.93 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.374 -0.375 . . . . 25.0 110.686 178.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 32.4 t -141.61 102.57 4.21 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 107.494 -1.299 . . . . 25.0 107.494 169.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 2.6 t80 . . . . . 0 C--N 1.321 -0.663 0 N-CA-C 105.517 -2.031 . . . . 25.0 105.517 177.128 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.8 p . . . . . 0 C--O 1.243 0.753 0 CA-C-O 120.668 0.271 . . . . 25.0 110.916 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -103.69 107.89 18.94 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 107.18 -1.415 . . . . 25.0 107.18 177.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 -129.64 135.08 48.1 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 107.818 -1.178 . . . . 25.0 107.818 -175.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.4 mp -130.72 168.13 17.69 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 122.36 0.264 . . . . 25.0 110.635 -171.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -146.11 151.78 38.23 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.109 -1.071 . . . . 25.0 108.109 175.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 39.2 mt -136.67 142.65 43.19 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 107.205 -1.405 . . . . 25.0 107.205 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -122.01 148.11 45.23 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.299 -1.0 . . . . 25.0 108.299 178.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 67.11 48.92 57.07 Favored Glycine 0 C--O 1.223 -0.568 0 C-N-CA 120.718 -0.753 . . . . 25.0 113.718 174.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -97.16 145.42 26.04 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 122.147 -0.619 . . . . 25.0 109.969 -179.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 72.8 m80 -76.95 91.39 3.59 Favored 'General case' 0 C--O 1.216 -0.661 0 N-CA-C 109.042 -0.725 . . . . 25.0 109.042 172.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -62.52 -27.16 68.97 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.856 -0.794 . . . . 25.0 108.856 175.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.34 -26.9 68.12 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.545 -0.752 . . . . 25.0 111.472 176.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 73.2 p -126.73 30.02 5.58 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 112.421 0.526 . . . . 25.0 112.421 179.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.1 pp -62.34 147.26 48.85 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.455 0.645 . . . . 25.0 111.22 -178.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 40.5 t -155.3 151.06 27.54 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.024 -0.732 . . . . 25.0 109.024 -179.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -79.65 -12.51 59.82 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 121.456 0.646 . . . . 25.0 111.085 176.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -71.54 1.45 28.45 Favored Glycine 0 CA--C 1.52 0.403 0 N-CA-C 116.89 1.516 . . . . 25.0 116.89 -173.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -70.32 -20.3 63.01 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 117.846 0.823 . . . . 25.0 112.659 -179.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 27.1 pt -76.88 152.22 5.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.134 0.492 . . . . 25.0 111.146 -177.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 7.5 p -64.62 -25.31 37.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 N-CA-C 112.72 0.637 . . . . 25.0 112.72 -177.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 . . . . . 0 C--N 1.323 -0.557 0 O-C-N 122.165 -0.334 . . . . 25.0 111.792 -175.042 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.478 0.926 0 N-CA-C 112.164 0.431 . . . . 25.0 112.164 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -102.89 -178.12 26.73 Favored Glycine 0 N--CA 1.453 -0.193 0 CA-C-N 116.277 -0.419 . . . . 25.0 113.609 -176.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.478 HG23 ' H ' ' A' ' 6' ' ' GLY . 6.5 t -107.39 -173.62 2.33 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 106.487 -1.672 . . . . 25.0 106.487 177.303 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -84.7 4.3 33.28 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 120.946 -1.096 . . . . 25.0 112.447 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.478 ' H ' HG23 ' A' ' 4' ' ' THR . . . -86.82 -164.06 39.48 Favored Glycine 0 C--N 1.32 -0.34 0 N-CA-C 108.764 -1.735 . . . . 25.0 108.764 170.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 53.5 m-20 -87.37 136.64 32.86 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 118.431 1.116 . . . . 25.0 108.443 177.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -134.3 154.64 51.19 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 121.24 0.543 . . . . 50.0 112.018 -177.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 99.3 t -124.5 114.14 39.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 104.989 -2.226 . . . . 25.0 104.989 171.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 45.2 mt -121.52 131.0 53.9 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.144 -1.058 . . . . 25.0 108.144 -174.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 83.0 mt -132.62 127.08 55.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 107.528 -1.286 . . . . 25.0 107.528 -179.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -91.11 -173.52 43.67 Favored Glycine 0 N--CA 1.452 -0.267 0 CA-C-O 121.629 0.572 . . . . 25.0 113.135 -178.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 83.7 p -123.26 -168.31 1.75 Allowed 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 123.439 0.695 . . . . 25.0 109.491 -178.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -76.21 -16.39 59.85 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 114.877 1.436 . . . . 25.0 114.877 -174.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.2 m -81.03 166.62 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 109.083 -0.71 . . . . 25.0 109.083 178.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.99 134.41 18.51 Favored Glycine 0 N--CA 1.454 -0.125 0 N-CA-C 110.458 -1.057 . . . . 25.0 110.458 178.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -140.3 161.74 36.96 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 117.311 0.556 . . . . 50.0 112.226 -173.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -117.01 121.37 41.16 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 105.49 -2.041 . . . . 25.0 105.49 172.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 59.0 mt -126.65 118.69 51.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 108.082 -1.081 . . . . 25.0 108.082 -175.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.1 m -117.46 127.11 53.69 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.045 -0.525 . . . . 25.0 109.866 -178.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.1 -30.9 18.79 Favored Glycine 0 CA--C 1.517 0.174 0 C-N-CA 121.03 -0.605 . . . . 25.0 114.445 -176.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 74.38 -161.64 53.77 Favored Glycine 0 C--O 1.243 0.674 0 CA-C-N 117.504 0.652 . . . . 25.0 111.744 -178.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.68 178.22 3.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 121.837 -0.802 . . . . 25.0 109.064 177.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.52 171.63 41.9 Favored Glycine 0 C--O 1.243 0.674 0 C-N-CA 121.041 -0.6 . . . . 25.0 112.026 -178.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -86.79 124.07 32.63 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.079 -1.082 . . . . 25.0 108.079 -178.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -130.85 149.9 52.26 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.97 1.1 . . . . 50.0 113.97 -173.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 -108.22 127.64 54.02 Favored 'General case' 0 CA--C 1.506 -0.722 0 N-CA-C 104.875 -2.268 . . . . 25.0 104.875 163.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.7 mp -115.74 142.95 46.06 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 103.269 -2.863 . . . . 25.0 103.269 172.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.438 ' HA ' ' HB ' ' A' ' 47' ' ' THR . 13.9 t0 -142.55 132.5 24.35 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 104.878 -2.267 . . . . 25.0 104.878 176.329 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -101.94 -22.8 9.72 Favored Glycine 0 C--N 1.318 -0.452 0 N-CA-C 114.183 0.433 . . . . 25.0 114.183 -172.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 64.7 -157.57 45.08 Favored Glycine 0 C--O 1.245 0.831 0 C-N-CA 120.513 -0.851 . . . . 25.0 111.365 -175.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.06 175.24 7.63 Favored 'General case' 0 C--O 1.243 0.729 0 O-C-N 121.992 -0.711 . . . . 25.0 110.548 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.26 166.49 34.25 Favored Glycine 0 C--O 1.238 0.347 0 N-CA-C 110.621 -0.992 . . . . 25.0 110.621 -177.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -82.64 136.78 34.69 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 107.138 -1.43 . . . . 25.0 107.138 -179.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -138.06 153.88 49.31 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 113.649 0.981 . . . . 50.0 113.649 -172.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.4 mp -111.37 126.87 55.38 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 106.533 -1.654 . . . . 25.0 106.533 176.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.1 mp -129.36 109.97 11.53 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 112.788 0.662 . . . . 25.0 112.788 -175.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -95.35 116.48 28.84 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 109.84 -0.43 . . . . 25.0 109.84 178.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -70.35 -52.06 19.0 Favored Glycine 0 C--O 1.247 0.917 0 C-N-CA 120.396 -0.906 . . . . 25.0 113.965 -178.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.81 174.71 45.23 Favored Glycine 0 C--O 1.237 0.307 0 O-C-N 122.334 -0.51 . . . . 25.0 112.292 -178.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.43 156.22 8.21 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 122.034 -0.686 . . . . 25.0 110.305 179.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.27 168.82 40.41 Favored Glycine 0 C--O 1.242 0.644 0 N-CA-C 111.026 -0.83 . . . . 25.0 111.026 -176.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.9 ptp85 -88.4 129.6 35.38 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 107.309 -1.367 . . . . 25.0 107.309 -179.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -130.12 160.07 34.87 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 112.981 0.734 . . . . 50.0 112.981 -171.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? -122.39 112.4 18.04 Favored 'General case' 0 CA--C 1.512 -0.512 0 N-CA-C 106.249 -1.759 . . . . 25.0 106.249 176.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.1 mp -110.81 100.29 9.06 Favored 'General case' 0 C--N 1.321 -0.66 0 O-C-N 123.172 0.295 . . . . 25.0 110.212 -174.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.438 ' HB ' ' HA ' ' A' ' 29' ' ' ASP . 20.5 m -91.3 114.75 27.36 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.081 -0.711 . . . . 25.0 109.081 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -83.08 -40.97 8.86 Favored Glycine 0 C--O 1.237 0.331 0 C-N-CA 119.798 -1.191 . . . . 25.0 112.759 -177.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.47 ' H ' ' HB2' ' A' ' 77' ' ' ASP . . . 72.68 -163.62 54.78 Favored Glycine 0 C--O 1.242 0.642 0 N-CA-C 111.136 -0.786 . . . . 25.0 111.136 -177.427 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 89.2 mt -64.08 156.63 27.67 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 120.958 0.409 . . . . 25.0 110.527 177.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 92.5 168.28 39.87 Favored Glycine 0 C--O 1.247 0.915 0 CA-C-N 115.359 -0.837 . . . . 25.0 111.166 -179.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -82.95 123.18 29.18 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 106.854 -1.535 . . . . 25.0 106.854 178.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -120.65 141.41 50.39 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 109.556 -0.535 . . . . 50.0 109.556 -175.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.8 t -114.93 122.68 47.03 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 107.847 -1.168 . . . . 25.0 107.847 177.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -104.84 129.54 53.14 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 105.982 -1.858 . . . . 25.0 105.982 -177.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.6 ttt180 -131.81 148.06 52.53 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 114.405 1.261 . . . . 25.0 114.405 -169.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 41.9 p90 -78.07 160.78 27.88 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.043 -0.981 . . . . 25.0 108.697 172.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -128.45 -2.11 5.55 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 109.646 -0.502 . . . . 25.0 109.646 166.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 28.6 tp -154.97 163.36 40.42 Favored 'General case' 0 C--O 1.218 -0.59 0 N-CA-C 107.384 -1.339 . . . . 25.0 107.384 -179.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 40.5 ptt180 -75.46 -17.65 60.09 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 118.775 0.716 . . . . 25.0 111.505 175.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -100.09 13.76 32.99 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 121.859 0.838 . . . . 25.0 110.36 -177.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -57.88 -31.54 66.82 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.299 -0.864 . . . . 25.0 112.348 -178.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 29.1 p -138.77 85.08 2.05 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.993 -0.743 . . . . 25.0 108.993 -179.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -134.23 150.44 51.03 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 116.343 -0.39 . . . . 25.0 110.197 -172.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 77.8 mtt180 -133.11 143.67 49.44 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.585 0.707 . . . . 25.0 110.772 176.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 18.9 t -146.2 156.63 50.32 Favored Pre-proline 0 C--N 1.323 -0.585 0 N-CA-C 105.285 -2.116 . . . . 25.0 105.285 -177.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -67.19 -14.72 44.14 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 115.731 -2.38 . . . . 25.0 112.79 175.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 84.5 mt -81.59 -3.9 54.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.765 0.317 . . . . 25.0 111.39 177.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 152.26 151.11 5.55 Favored Glycine 0 N--CA 1.451 -0.335 0 CA-C-O 121.605 0.559 . . . . 25.0 113.079 179.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.1 t -100.12 143.74 29.96 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.692 -0.855 . . . . 25.0 108.692 178.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -133.58 19.15 3.91 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 107.49 -1.3 . . . . 25.0 107.49 179.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 68.6 p -70.91 154.09 42.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.663 -0.699 . . . . 25.0 110.385 -178.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -105.83 155.42 19.33 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.193 0.52 . . . . 50.0 111.605 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 65.5 tp -121.09 131.34 54.21 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 106.493 -1.669 . . . . 25.0 106.493 175.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 44.5 mt -107.95 146.69 13.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 N-CA-C 104.046 -2.575 . . . . 25.0 104.046 177.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.405 ' HB2' ' HA ' ' A' ' 47' ' ' THR . 2.4 mm? -124.89 148.61 48.2 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 106.754 -1.572 . . . . 25.0 106.754 -176.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.47 ' HB2' ' H ' ' A' ' 49' ' ' GLY . 59.2 m-20 57.53 44.19 21.53 Favored 'General case' 0 C--O 1.245 0.838 0 O-C-N 124.172 0.92 . . . . 25.0 110.337 178.329 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -79.77 124.27 28.45 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.881 0.848 . . . . 25.0 110.536 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -105.02 94.23 7.44 Favored Pre-proline 0 C--N 1.318 -0.768 0 CA-C-N 114.749 -1.114 . . . . 25.0 108.687 178.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.413 ' HD2' ' HB2' ' A' ' 136' ' ' HIS . 38.7 Cg_endo -61.41 -16.46 47.42 Favored 'Trans proline' 0 CA--C 1.535 0.559 0 N-CA-C 115.131 1.166 . . . . 25.0 115.131 -179.34 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.7 t -77.56 -10.93 59.77 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 113.143 0.794 . . . . 25.0 113.143 175.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -140.51 -38.2 0.45 Allowed 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 115.037 1.495 . . . . 25.0 115.037 -173.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -79.45 159.01 27.19 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.278 0.561 . . . . 50.0 112.003 -172.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.404 ' HE3' ' HA ' ' A' ' 146' ' ' VAL . 32.6 tptt -133.46 149.19 51.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.017 -0.538 . . . . 25.0 111.061 -177.31 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 49.4 mt -124.96 118.02 51.87 Favored 'Isoleucine or valine' 0 C--O 1.24 0.605 0 N-CA-C 109.351 -0.611 . . . . 25.0 109.351 176.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -87.78 130.95 34.69 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-O 122.11 0.957 . . . . 25.0 108.58 176.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.7 m -138.23 20.99 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.944 0 CA-C-N 113.937 -1.483 . . . . 25.0 110.459 -176.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.8 t -53.22 -37.4 61.99 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 113.909 1.077 . . . . 25.0 113.909 -174.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -75.86 -6.55 51.32 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 113.834 1.05 . . . . 25.0 113.834 179.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 9.9 mt -103.6 -40.22 6.4 Favored 'General case' 0 C--O 1.219 -0.528 0 N-CA-C 107.593 -1.262 . . . . 25.0 107.593 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.303 0 CA-C-N 114.775 -1.102 . . . . 25.0 115.843 175.707 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 33.0 m120 . . . . . 0 N--CA 1.475 0.802 0 N-CA-C 116.645 2.091 . . . . 25.0 116.645 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 82.35 8.72 85.93 Favored Glycine 0 C--N 1.323 -0.148 0 C-N-CA 120.666 -0.778 . . . . 25.0 111.618 -174.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -141.36 168.19 20.36 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 106.893 -1.521 . . . . 25.0 106.893 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 53.26 44.38 30.24 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.248 0.619 . . . . 25.0 112.562 177.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 82.79 0.19 89.98 Favored Glycine 0 CA--C 1.517 0.188 0 C-N-CA 120.796 -0.716 . . . . 25.0 114.828 176.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 51.8 p -102.31 162.52 12.85 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.658 -0.868 . . . . 25.0 108.658 176.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.1 mt -104.45 170.45 7.89 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 107.495 -1.298 . . . . 25.0 107.495 178.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -137.36 140.57 41.51 Favored 'General case' 0 C--N 1.317 -0.807 1 N-CA-C 100.179 -4.008 . . . . 25.0 100.179 167.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 12.2 p -125.91 146.04 32.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 N-CA-C 107.765 -1.198 . . . . 25.0 107.765 -176.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 65.4 p -147.11 165.89 28.59 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 107.88 -1.156 . . . . 25.0 107.88 -177.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 69.0 mt . . . . . 0 C--N 1.322 -0.628 0 N-CA-C 108.838 -0.801 . . . . 25.0 108.838 -177.074 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 29.9 mtt85 . . . . . 0 CA--C 1.508 -0.638 0 N-CA-C 106.716 -1.587 . . . . 25.0 106.716 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 13.5 m -129.19 141.87 51.03 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.871 -0.789 . . . . 25.0 108.871 -178.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -127.69 134.6 49.59 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 107.941 -1.133 . . . . 25.0 107.941 178.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 5.6 mp -123.49 128.43 49.78 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.675 -1.232 . . . . 25.0 107.675 -176.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -131.3 133.75 45.68 Favored 'General case' 0 C--O 1.214 -0.79 0 N-CA-C 109.725 -0.472 . . . . 25.0 109.725 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 27.3 t -136.1 164.55 27.76 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 106.081 -1.822 . . . . 25.0 106.081 175.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 59.9 t80 . . . . . 0 C--N 1.322 -0.589 0 N-CA-C 107.911 -1.144 . . . . 25.0 107.911 179.429 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 50.1 m . . . . . 0 C--O 1.234 0.259 0 CA-C-O 120.91 0.386 . . . . 25.0 110.057 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -130.43 116.66 18.55 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 105.52 -2.03 . . . . 25.0 105.52 176.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -138.44 146.82 42.57 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.272 0.471 . . . . 25.0 112.272 -165.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 5.1 mp -138.88 165.26 27.52 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 107.684 -1.228 . . . . 25.0 107.684 -179.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -144.55 151.69 39.46 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.64 -0.504 . . . . 25.0 109.64 175.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 45.4 mt -125.1 128.89 49.16 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 107.327 -1.36 . . . . 25.0 107.327 177.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -112.48 147.34 36.74 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 106.985 -1.487 . . . . 25.0 106.985 174.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 77.38 29.32 56.22 Favored Glycine 0 C--O 1.223 -0.591 0 N-CA-C 109.719 -1.352 . . . . 25.0 109.719 -178.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -69.07 117.05 10.23 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.061 0.458 . . . . 25.0 111.654 -178.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' HIS . . . . . 0.413 ' HB2' ' HD2' ' A' ' 80' ' ' PRO . 76.2 m80 -80.62 78.72 7.34 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.429 0.633 . . . . 25.0 109.716 174.504 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -61.54 -26.59 68.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.778 -0.646 . . . . 25.0 109.649 176.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.72 -25.82 67.66 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 115.877 -0.601 . . . . 25.0 110.969 176.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 68.0 p -119.69 35.18 4.93 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 111.499 0.185 . . . . 25.0 111.499 178.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.8 pp -56.84 154.72 8.84 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 121.626 0.727 . . . . 25.0 112.603 -176.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 41.2 t -149.57 150.47 32.3 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.685 -0.688 . . . . 25.0 109.902 -178.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -88.66 1.8 54.4 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-O 121.466 0.65 . . . . 25.0 109.608 176.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -99.7 10.27 60.72 Favored Glycine 0 C--O 1.221 -0.665 0 N-CA-C 116.012 1.165 . . . . 25.0 116.012 -175.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -62.51 -43.0 99.89 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 118.819 1.31 . . . . 25.0 112.159 -176.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 58.7 mt -73.31 143.97 13.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 107.385 -1.339 . . . . 25.0 107.385 -177.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.404 ' HA ' ' HE3' ' A' ' 84' ' ' LYS . 10.6 p -52.99 -34.55 20.92 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 N-CA-C 113.468 0.914 . . . . 25.0 113.468 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 . . . . . 0 C--N 1.327 -0.394 0 N-CA-C 112.822 0.675 . . . . 25.0 112.822 179.436 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 . . . . . 0 N--CA 1.478 0.956 0 N-CA-C 116.763 2.134 . . . . 25.0 116.763 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.1 167.43 45.55 Favored Glycine 0 C--N 1.323 -0.174 0 N-CA-C 110.753 -0.939 . . . . 25.0 110.753 174.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 71.4 p -87.26 -175.22 5.21 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.315 -0.624 . . . . 25.0 109.315 178.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -87.47 6.13 35.55 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.953 0.882 . . . . 25.0 111.041 173.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -89.22 -160.32 36.34 Favored Glycine 0 C--N 1.323 -0.193 0 N-CA-C 108.952 -1.659 . . . . 25.0 108.952 173.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -94.84 121.83 36.84 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 107.752 -1.203 . . . . 25.0 107.752 177.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -124.51 156.99 36.36 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.321 0.582 . . . . 50.0 111.989 -174.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 94.0 t -123.99 114.64 42.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 105.219 -2.141 . . . . 25.0 105.219 170.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.4 mt -113.98 142.32 46.3 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.471 -0.937 . . . . 25.0 108.471 -176.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.493 ' HA ' ' HB3' ' A' ' 29' ' ' ASP . 36.7 mm -125.84 136.69 60.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 107.203 -1.406 . . . . 25.0 107.203 -178.045 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -94.09 -179.34 38.59 Favored Glycine 0 C--O 1.23 -0.156 0 C-N-CA 121.077 -0.582 . . . . 25.0 112.751 179.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 81.2 p -132.84 179.28 6.26 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.243 -1.021 . . . . 25.0 108.243 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -70.75 -24.53 62.63 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 114.884 1.439 . . . . 25.0 114.884 -174.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.5 m -76.98 165.8 2.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.824 -0.435 . . . . 25.0 109.824 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.6 138.11 26.9 Favored Glycine 0 C--N 1.325 -0.083 0 N-CA-C 110.32 -1.112 . . . . 25.0 110.32 177.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -140.29 163.07 33.75 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 112.862 0.69 . . . . 50.0 112.862 -173.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.2 tm0? -119.84 120.82 37.61 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 104.287 -2.486 . . . . 25.0 104.287 172.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 55.9 mt -132.98 105.53 8.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 122.484 1.135 . . . . 25.0 109.998 -177.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.5 p -93.06 139.81 30.15 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-N 114.476 -1.238 . . . . 25.0 108.753 176.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -97.32 -24.57 12.3 Favored Glycine 0 CA--C 1.517 0.165 0 N-CA-C 114.409 0.524 . . . . 25.0 114.409 -178.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.13 -168.43 52.17 Favored Glycine 0 C--O 1.244 0.761 0 CA-C-N 117.324 0.562 . . . . 25.0 112.749 -178.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.96 -179.32 1.84 Allowed 'General case' 0 CA--C 1.538 0.497 0 O-C-N 122.037 -0.684 . . . . 25.0 109.203 176.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.74 171.03 41.42 Favored Glycine 0 C--O 1.241 0.575 0 C-N-CA 121.089 -0.577 . . . . 25.0 112.031 -178.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -93.09 119.42 32.29 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.001 -1.111 . . . . 25.0 108.001 -178.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -127.51 163.27 24.5 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 114.613 1.338 . . . . 50.0 114.613 -170.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 78.1 ttt-85 -116.44 132.62 56.62 Favored 'General case' 0 CA--C 1.51 -0.558 0 N-CA-C 105.535 -2.024 . . . . 25.0 105.535 162.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.2 mp -121.08 149.69 42.34 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 104.753 -2.314 . . . . 25.0 104.753 176.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.493 ' HB3' ' HA ' ' A' ' 11' ' ' ILE . 8.2 t70 -146.18 139.0 25.57 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 104.945 -2.243 . . . . 25.0 104.945 179.014 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -106.16 -19.24 10.24 Favored Glycine 0 C--O 1.226 -0.398 0 O-C-N 123.503 0.502 . . . . 25.0 113.989 -176.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 64.3 -158.48 42.44 Favored Glycine 0 C--O 1.245 0.813 0 N-CA-C 111.43 -0.668 . . . . 25.0 111.43 -175.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.23 175.61 7.42 Favored 'General case' 0 C--O 1.242 0.703 0 O-C-N 121.995 -0.709 . . . . 25.0 109.997 178.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 78.6 167.96 32.98 Favored Glycine 0 C--O 1.24 0.521 0 N-CA-C 111.558 -0.617 . . . . 25.0 111.558 -178.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -81.88 139.53 34.63 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 107.087 -1.449 . . . . 25.0 107.087 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -141.13 153.43 45.38 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 113.712 1.004 . . . . 50.0 113.712 -173.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.3 mp -114.82 116.33 28.41 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 107.447 -1.316 . . . . 25.0 107.447 177.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.5 mp -122.7 134.25 54.47 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 111.732 0.271 . . . . 25.0 111.732 -176.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -115.48 127.06 55.05 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 109.245 -0.65 . . . . 25.0 109.245 177.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -76.75 -46.69 10.8 Favored Glycine 0 C--O 1.246 0.892 0 C-N-CA 119.931 -1.128 . . . . 25.0 113.409 -178.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.48 -177.88 52.34 Favored Glycine 0 C--O 1.245 0.821 0 N-CA-C 110.103 -1.199 . . . . 25.0 110.103 -175.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.53 162.8 9.79 Favored 'General case' 0 C--O 1.244 0.814 0 N-CA-C 109.779 -0.452 . . . . 25.0 109.779 177.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 86.29 170.0 46.5 Favored Glycine 0 C--O 1.238 0.349 0 N-CA-C 110.523 -1.031 . . . . 25.0 110.523 -176.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.8 ptt180 -91.26 136.23 33.24 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 106.605 -1.628 . . . . 25.0 106.605 179.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -133.34 157.28 45.9 Favored 'General case' 0 C--N 1.317 -0.825 0 O-C-N 122.16 -0.337 . . . . 50.0 111.567 -172.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -118.26 105.18 11.5 Favored 'General case' 0 C--O 1.22 -0.493 0 N-CA-C 106.829 -1.545 . . . . 25.0 106.829 175.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.7 mp -104.37 102.7 12.37 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 122.366 0.267 . . . . 25.0 110.983 -174.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.0 m -89.61 113.53 24.99 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.504 -0.554 . . . . 25.0 109.504 -179.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -83.73 -43.1 7.42 Favored Glycine 0 C--O 1.246 0.847 0 C-N-CA 120.058 -1.068 . . . . 25.0 113.123 -176.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.43 -161.39 53.52 Favored Glycine 0 C--O 1.241 0.565 0 C-N-CA 121.045 -0.597 . . . . 25.0 111.611 -178.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 86.7 mt -63.52 155.45 29.34 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.107 0.48 . . . . 25.0 111.101 179.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 92.44 166.55 39.19 Favored Glycine 0 C--O 1.244 0.769 0 CA-C-N 115.186 -0.915 . . . . 25.0 111.266 -179.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -84.27 118.15 24.0 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 107.053 -1.462 . . . . 25.0 107.053 178.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -116.37 139.7 50.13 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.48 -0.563 . . . . 50.0 109.48 -174.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.9 t -113.58 135.04 54.34 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.419 -0.956 . . . . 25.0 108.419 175.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -117.04 114.41 23.73 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 106.598 -1.63 . . . . 25.0 106.598 -177.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 43.3 ttt-85 -114.07 148.76 36.56 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.512 0.672 . . . . 25.0 112.173 -172.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 30.9 p90 -74.35 157.3 35.97 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.167 -1.049 . . . . 25.0 108.167 171.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -111.07 -42.42 3.96 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 107.264 -1.384 . . . . 25.0 107.264 169.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.3 mp -133.58 172.0 13.34 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 107.499 -1.297 . . . . 25.0 107.499 176.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 41.5 ptt180 -65.78 -15.3 62.74 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-O 121.587 0.708 . . . . 25.0 110.958 173.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -80.57 -0.98 40.14 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.37 -0.832 . . . . 25.0 111.987 -178.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.41 -31.91 72.67 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 113.144 0.794 . . . . 25.0 113.144 -176.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.1 m -150.54 98.28 2.62 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.566 0.698 . . . . 25.0 109.652 177.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -140.2 148.66 41.89 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.301 -1.0 . . . . 25.0 108.301 -174.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -136.03 142.19 44.41 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.263 -0.643 . . . . 25.0 109.263 175.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 87.7 p -150.72 168.41 11.07 Favored Pre-proline 0 C--N 1.322 -0.599 0 N-CA-C 104.701 -2.333 . . . . 25.0 104.701 178.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -70.44 -7.68 21.83 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 115.446 -2.569 . . . . 25.0 113.262 177.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 78.9 mt -90.36 -7.75 52.48 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.872 0.323 . . . . 25.0 111.872 179.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 164.88 157.63 9.8 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.365 -0.921 . . . . 25.0 114.464 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.8 t -115.93 124.81 51.5 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.813 0.816 . . . . 25.0 109.438 178.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -122.68 14.21 10.11 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.316 -0.994 . . . . 25.0 108.316 -176.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 55.0 p -67.36 139.83 57.21 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 115.193 -0.912 . . . . 25.0 110.718 -178.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -90.47 154.55 19.56 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.573 0.701 . . . . 50.0 112.517 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.28 130.84 55.62 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 106.156 -1.794 . . . . 25.0 106.156 176.432 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 38.7 mt -107.99 144.94 15.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 N-CA-C 104.358 -2.46 . . . . 25.0 104.358 176.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -122.9 144.1 49.44 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 108.456 -0.942 . . . . 25.0 108.456 -175.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 57.06 50.47 11.97 Favored 'General case' 0 C--O 1.242 0.707 0 O-C-N 124.387 1.054 . . . . 25.0 109.441 178.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -85.96 131.44 34.28 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.462 -1.245 . . . . 25.0 112.04 -176.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -104.58 96.6 10.58 Favored Pre-proline 0 C--N 1.324 -0.515 0 N-CA-C 108.894 -0.78 . . . . 25.0 108.894 178.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -64.17 -15.36 49.0 Favored 'Trans proline' 0 CA--C 1.533 0.467 0 N-CA-C 116.771 1.796 . . . . 25.0 116.771 -175.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 18.3 m -98.09 2.13 48.35 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 113.499 0.925 . . . . 25.0 113.499 175.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -135.6 -37.41 0.76 Allowed 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 113.744 1.016 . . . . 25.0 113.744 -177.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -80.9 172.8 13.29 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 110.122 -0.325 . . . . 50.0 110.122 -176.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 38.1 tptt -139.25 142.58 37.8 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 122.518 0.327 . . . . 25.0 110.77 -176.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 46.4 mt -125.73 115.41 43.06 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 N-CA-C 109.074 -0.713 . . . . 25.0 109.074 176.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.403 ' HA ' ' HB ' ' A' ' 146' ' ' VAL . 79.1 m-20 -97.5 111.12 23.52 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.27 0.557 . . . . 25.0 110.232 179.517 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 24.4 m -116.54 26.9 3.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 CA-C-O 122.11 0.957 . . . . 25.0 110.224 -179.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.38 19.91 0.06 Allowed 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 115.548 1.685 . . . . 25.0 115.548 -177.471 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.9 -34.9 79.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.352 0.596 . . . . 25.0 110.009 178.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 16.3 mt -127.61 -44.33 1.53 Allowed 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 106.775 -1.565 . . . . 25.0 106.775 177.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.299 0 N-CA-C 108.369 -1.892 . . . . 25.0 108.369 -175.591 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 8.7 m120 . . . . . 0 N--CA 1.47 0.541 0 N-CA-C 115.047 1.499 . . . . 25.0 115.047 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 78.57 4.19 87.31 Favored Glycine 0 CA--C 1.519 0.34 0 N-CA-C 116.338 1.295 . . . . 25.0 116.338 177.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -141.48 167.43 22.18 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.553 -0.906 . . . . 25.0 108.553 -178.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 53.77 46.41 25.89 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 121.21 0.529 . . . . 25.0 112.349 178.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 74.78 26.87 66.07 Favored Glycine 0 C--O 1.229 -0.197 0 C-N-CA 120.523 -0.846 . . . . 25.0 114.115 176.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 47.0 p -124.81 160.49 28.61 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.173 -0.677 . . . . 25.0 109.173 176.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.7 mt -98.56 171.87 7.86 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.403 -0.962 . . . . 25.0 108.403 179.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -157.45 162.11 38.94 Favored 'General case' 0 C--O 1.24 0.567 0 N-CA-C 104.278 -2.489 . . . . 25.0 104.278 173.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 8.9 p -134.23 153.56 36.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 109.539 -0.541 . . . . 25.0 109.539 -179.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 50.9 m -144.35 159.08 43.32 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 106.76 -1.57 . . . . 25.0 106.76 177.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 48.0 mt . . . . . 0 C--N 1.323 -0.567 0 CA-C-O 121.124 0.488 . . . . 25.0 110.785 -177.07 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 83.4 mtm180 . . . . . 0 C--O 1.239 0.508 0 N-CA-C 107.211 -1.403 . . . . 25.0 107.211 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 16.0 m -133.54 152.42 51.9 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.566 -0.902 . . . . 25.0 108.566 -175.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -134.32 143.68 47.85 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 106.701 -1.592 . . . . 25.0 106.701 179.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.7 mp -124.52 139.48 53.84 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 106.13 -1.804 . . . . 25.0 106.13 -178.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.55 136.49 39.34 Favored 'General case' 0 C--O 1.218 -0.587 0 N-CA-C 112.105 0.409 . . . . 25.0 112.105 -175.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 30.1 t -148.28 160.89 42.51 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 107.897 -1.149 . . . . 25.0 107.897 175.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 4.7 t80 . . . . . 0 C--N 1.325 -0.473 0 N-CA-C 109.663 -0.495 . . . . 25.0 109.663 179.076 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.237 0.437 0 CA-C-O 120.748 0.309 . . . . 25.0 110.86 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -127.76 104.84 8.06 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 105.812 -1.921 . . . . 25.0 105.812 177.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 74.5 mt-10 -134.86 150.28 50.44 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.884 -0.413 . . . . 25.0 109.884 -168.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.7 mp -138.31 172.01 13.54 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 109.186 -0.672 . . . . 25.0 109.186 -176.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -144.54 156.81 44.33 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 120.668 0.27 . . . . 25.0 110.389 174.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 33.9 mt -130.37 130.78 44.82 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 106.566 -1.642 . . . . 25.0 106.566 176.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -118.73 146.15 44.98 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 105.618 -1.993 . . . . 25.0 105.618 174.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 74.73 37.1 46.16 Favored Glycine 0 C--O 1.226 -0.344 0 N-CA-C 108.943 -1.663 . . . . 25.0 108.943 -176.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -82.77 123.76 29.63 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.244 -0.478 . . . . 25.0 110.905 -178.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 73.9 m80 -80.39 75.86 7.21 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.248 0.547 . . . . 25.0 110.197 175.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -61.72 -26.67 68.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.861 -0.609 . . . . 25.0 110.528 177.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.53 -23.54 66.0 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 116.252 -0.431 . . . . 25.0 110.474 175.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 70.3 p -116.55 27.23 9.32 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 112.086 0.402 . . . . 25.0 112.086 177.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.1 pp -59.5 142.19 53.08 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 122.096 0.95 . . . . 25.0 112.284 -174.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 31.2 t -156.12 154.3 30.69 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 104.78 -2.304 . . . . 25.0 104.78 178.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -95.05 -1.4 52.3 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.722 0.296 . . . . 25.0 110.841 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -63.6 -18.4 61.36 Favored Glycine 0 CA--C 1.521 0.435 0 N-CA-C 115.451 0.94 . . . . 25.0 115.451 -176.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 17.2 p30 -71.03 -13.5 62.01 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 114.351 1.241 . . . . 25.0 114.351 -178.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 10.8 pt -78.92 144.27 11.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 121.531 -0.73 . . . . 25.0 110.212 -179.045 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.403 ' HB ' ' HA ' ' A' ' 86' ' ' ASP . 8.2 p -60.73 -25.91 36.63 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 N-CA-C 112.399 0.518 . . . . 25.0 112.399 -179.14 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 . . . . . 0 C--N 1.322 -0.613 0 N-CA-C 113.328 0.862 . . . . 25.0 113.328 -177.472 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 . . . . . 0 N--CA 1.485 1.321 0 N-CA-C 117.508 2.41 . . . . 25.0 117.508 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -71.92 147.24 41.16 Favored Glycine 0 C--O 1.227 -0.299 0 C-N-CA 120.035 -1.079 . . . . 25.0 111.802 176.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 68.9 p -86.93 -174.99 5.2 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 107.842 -1.17 . . . . 25.0 107.842 177.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -87.22 5.08 39.9 Favored 'General case' 0 C--N 1.321 -0.659 0 O-C-N 121.16 -0.963 . . . . 25.0 111.449 173.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -89.01 -160.47 36.49 Favored Glycine 0 N--CA 1.459 0.211 0 N-CA-C 108.403 -1.879 . . . . 25.0 108.403 172.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -93.01 128.21 38.8 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.945 -1.131 . . . . 25.0 107.945 177.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -127.62 155.66 43.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.223 0.535 . . . . 50.0 111.919 -176.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 88.0 t -120.48 117.41 53.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 105.167 -2.16 . . . . 25.0 105.167 171.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 70.9 mt -121.66 131.82 54.31 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.33 -0.989 . . . . 25.0 108.33 -175.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 73.8 mt -132.04 128.39 59.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 107.157 -1.423 . . . . 25.0 107.157 -178.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -92.58 163.01 27.07 Favored Glycine 0 N--CA 1.45 -0.387 0 CA-C-O 121.901 0.723 . . . . 25.0 113.334 -179.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 94.1 p -94.19 -177.56 4.33 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 123.834 0.854 . . . . 25.0 109.385 179.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -72.94 -15.25 61.57 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 115.897 1.814 . . . . 25.0 115.897 -176.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.6 m -83.28 166.57 2.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 109.189 -0.671 . . . . 25.0 109.189 177.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.33 137.94 28.48 Favored Glycine 0 CA--C 1.518 0.263 0 C-N-CA 120.526 -0.845 . . . . 25.0 111.09 178.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -144.67 165.4 28.14 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 117.493 0.646 . . . . 75.0 112.319 -173.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -119.74 115.94 24.92 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 106.37 -1.715 . . . . 25.0 106.37 173.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 37.8 mm -118.43 124.57 73.33 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 N-CA-C 109.56 -0.533 . . . . 25.0 109.56 -174.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.7 m -124.06 134.24 53.45 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 110.115 -0.328 . . . . 25.0 110.115 178.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -96.14 -21.8 21.77 Favored Glycine 0 CA--C 1.521 0.407 0 N-CA-C 116.838 1.495 . . . . 25.0 116.838 -174.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.71 -165.09 54.7 Favored Glycine 0 CA--C 1.525 0.709 0 CA-C-N 118.059 0.93 . . . . 25.0 112.589 -178.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.38 -179.87 2.65 Favored 'General case' 0 CA--C 1.535 0.396 0 O-C-N 121.766 -0.844 . . . . 25.0 109.36 177.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.51 170.86 40.62 Favored Glycine 0 C--O 1.243 0.675 0 C-N-CA 121.067 -0.587 . . . . 25.0 112.514 -178.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -91.38 117.39 29.63 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 108.538 -0.912 . . . . 25.0 108.538 -178.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -125.4 169.74 12.06 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 114.024 1.12 . . . . 50.0 114.024 -171.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 52.1 ttt180 -124.53 130.06 51.76 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 107.87 -1.159 . . . . 25.0 107.87 166.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.9 mp -125.45 105.11 8.82 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.295 -0.631 . . . . 25.0 109.295 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -103.4 135.84 44.26 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 106.255 -1.758 . . . . 25.0 106.255 175.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -98.22 -25.53 10.21 Favored Glycine 0 CA--C 1.52 0.397 0 N-CA-C 114.644 0.618 . . . . 25.0 114.644 -176.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 71.6 -159.58 53.85 Favored Glycine 0 C--O 1.243 0.697 0 N-CA-C 111.437 -0.665 . . . . 25.0 111.437 -177.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.86 175.98 6.79 Favored 'General case' 0 C--O 1.245 0.819 0 O-C-N 121.969 -0.724 . . . . 25.0 109.718 178.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.84 166.35 35.33 Favored Glycine 0 N--CA 1.452 -0.263 0 N-CA-C 110.271 -1.132 . . . . 25.0 110.271 -177.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -83.31 129.58 35.01 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 107.078 -1.453 . . . . 25.0 107.078 -179.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -131.41 149.99 52.32 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 113.634 0.976 . . . . 50.0 113.634 -171.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.2 mp -108.66 128.43 54.85 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 106.13 -1.804 . . . . 25.0 106.13 174.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 mp -128.82 117.73 21.56 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 112.157 0.428 . . . . 25.0 112.157 -176.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -115.31 105.9 13.4 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 121.212 0.53 . . . . 25.0 109.759 179.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -64.51 -40.01 97.31 Favored Glycine 0 C--O 1.249 1.058 0 N-CA-C 114.895 0.718 . . . . 25.0 114.895 -176.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.65 179.69 53.0 Favored Glycine 0 CA--C 1.517 0.21 0 N-CA-C 110.62 -0.992 . . . . 25.0 110.62 -177.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.43 157.62 10.9 Favored 'General case' 0 CA--C 1.545 0.75 0 O-C-N 121.905 -0.762 . . . . 25.0 110.538 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.96 166.85 41.8 Favored Glycine 0 C--O 1.243 0.687 0 N-CA-C 110.303 -1.119 . . . . 25.0 110.303 -176.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 -88.54 133.28 34.2 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 107.174 -1.417 . . . . 25.0 107.174 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -128.05 160.8 30.84 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-O 120.971 0.415 . . . . 50.0 110.539 -173.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -122.94 124.18 42.61 Favored 'General case' 0 CA--C 1.509 -0.61 0 N-CA-C 104.466 -2.42 . . . . 25.0 104.466 -178.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.3 mp -128.11 142.28 51.24 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 118.372 0.533 . . . . 25.0 111.649 -172.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.6 m -129.77 107.78 9.67 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.334 -0.617 . . . . 25.0 109.334 179.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -75.35 -39.57 35.73 Favored Glycine 0 C--O 1.241 0.55 0 C-N-CA 120.074 -1.06 . . . . 25.0 114.549 -175.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.03 -162.68 54.11 Favored Glycine 0 C--O 1.236 0.276 0 C-N-CA 121.123 -0.56 . . . . 25.0 112.448 -178.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.5 mt -64.92 160.4 20.68 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-O 120.897 0.379 . . . . 25.0 110.739 178.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 91.46 167.03 40.56 Favored Glycine 0 C--O 1.246 0.857 0 N-CA-C 110.275 -1.13 . . . . 25.0 110.275 -177.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.31 124.8 30.97 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 106.062 -1.829 . . . . 25.0 106.062 177.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -124.16 142.83 50.89 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.79 -0.448 . . . . 50.0 109.79 -175.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.8 t -120.92 135.78 55.11 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.868 0.842 . . . . 25.0 108.997 175.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -113.32 117.31 31.47 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 105.257 -2.127 . . . . 25.0 105.257 -178.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 52.6 ttt85 -123.9 144.83 49.53 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.019 0.914 . . . . 25.0 112.399 -171.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 29.3 p90 -72.84 137.21 45.57 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.486 -1.234 . . . . 25.0 109.503 175.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -98.16 -25.53 14.87 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 108.905 -0.776 . . . . 25.0 108.905 172.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.1 mp -137.48 164.33 28.95 Favored 'General case' 0 C--O 1.214 -0.777 0 N-CA-C 107.398 -1.334 . . . . 25.0 107.398 178.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 37.6 ptt180 -71.57 -14.9 62.23 Favored 'General case' 0 C--O 1.216 -0.694 0 CA-C-O 121.305 0.574 . . . . 25.0 110.913 173.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -103.6 12.04 35.41 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.678 -0.692 . . . . 25.0 109.868 -178.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -60.07 -35.1 74.43 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 116.132 -0.485 . . . . 25.0 110.744 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 39.8 m -139.39 109.79 6.57 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.781 -1.192 . . . . 25.0 107.781 175.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -153.69 153.45 32.28 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.693 -1.225 . . . . 25.0 107.693 -170.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -138.1 144.19 40.75 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 109.349 -0.611 . . . . 25.0 109.349 176.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 86.4 p -154.21 170.14 8.92 Favored Pre-proline 0 C--N 1.323 -0.559 0 N-CA-C 106.287 -1.746 . . . . 25.0 106.287 -178.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -69.48 -8.5 23.77 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 115.382 -2.612 . . . . 25.0 113.642 176.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 75.2 mt -79.4 -11.88 59.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.136 0.493 . . . . 25.0 110.737 177.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 145.16 174.88 17.82 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 121.119 -0.563 . . . . 25.0 113.006 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.0 t -108.14 141.22 40.19 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.592 0.71 . . . . 25.0 109.44 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -130.18 10.35 5.35 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 107.137 -1.431 . . . . 25.0 107.137 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 79.5 p -70.59 140.91 51.8 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-N 115.653 -0.703 . . . . 25.0 110.235 -177.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -88.91 152.1 21.93 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.272 0.558 . . . . 50.0 111.442 179.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.3 mp -121.92 128.32 51.42 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.77 -1.196 . . . . 25.0 107.77 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 12.1 mt -104.23 137.33 33.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 N-CA-C 105.409 -2.071 . . . . 25.0 105.409 175.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -89.63 -34.45 16.3 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.331 -0.85 . . . . 25.0 111.541 -173.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -139.11 119.64 13.97 Favored 'General case' 0 C--O 1.241 0.642 0 N-CA-C 107.276 -1.379 . . . . 25.0 107.276 -178.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -139.23 127.7 22.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.918 0.39 . . . . 25.0 110.047 -178.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -98.29 105.8 31.35 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.585 -0.734 . . . . 25.0 109.571 -179.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -69.54 -7.67 21.59 Favored 'Trans proline' 0 C--O 1.217 -0.544 0 C-N-CA 117.458 -1.228 . . . . 25.0 113.727 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 43.9 t -90.19 -10.84 42.95 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.211 0.448 . . . . 25.0 112.211 176.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 82.4 mm-40 -138.54 -28.21 0.83 Allowed 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 114.686 1.365 . . . . 25.0 114.686 -171.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -100.85 158.52 15.91 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.579 0.585 . . . . 50.0 112.579 -168.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 41.3 tptt -132.03 148.91 52.53 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.008 -0.542 . . . . 25.0 111.74 -174.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 45.8 mt -124.0 115.95 46.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 N-CA-C 109.676 -0.49 . . . . 25.0 109.676 176.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -94.62 116.51 28.85 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.655 -0.498 . . . . 25.0 109.655 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 22.2 m -124.3 28.09 2.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 CA-C-O 122.045 0.926 . . . . 25.0 109.591 -178.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.08 21.56 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 115.013 1.486 . . . . 25.0 115.013 -176.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.08 -40.43 90.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.556 0.693 . . . . 25.0 110.816 -178.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 18.3 mt -131.06 -42.43 1.09 Allowed 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 105.5 -2.037 . . . . 25.0 105.5 177.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.619 0 N-CA-C 108.483 -1.847 . . . . 25.0 108.483 -178.008 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 16.1 m120 . . . . . 0 N--CA 1.48 1.054 0 N-CA-C 116.039 1.866 . . . . 25.0 116.039 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 77.95 4.71 86.2 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 115.621 1.008 . . . . 25.0 115.621 178.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -139.96 167.75 21.4 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 107.202 -1.407 . . . . 25.0 107.202 -179.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 54.02 44.53 29.18 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 121.514 0.673 . . . . 25.0 112.248 177.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 76.56 19.23 78.27 Favored Glycine 0 N--CA 1.452 -0.263 0 N-CA-C 114.653 0.621 . . . . 25.0 114.653 176.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 53.1 p -116.72 158.03 24.5 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 118.072 0.936 . . . . 25.0 110.223 178.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.3 mt -92.5 172.56 8.3 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.306 -0.998 . . . . 25.0 108.306 177.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -159.37 160.03 34.5 Favored 'General case' 0 C--O 1.244 0.769 0 N-CA-C 103.668 -2.716 . . . . 25.0 103.668 173.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 5.4 p -141.43 155.49 20.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.152 0.501 . . . . 25.0 111.466 -177.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 22.2 p -138.84 144.6 39.32 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 100.763 -3.791 . . . . 25.0 100.763 172.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 N--CA 1.477 0.907 0 N-CA-C 118.033 2.605 . . . . 25.0 118.033 -166.104 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 83.5 mtt-85 . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 106.626 -1.62 . . . . 25.0 106.626 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.419 ' HB ' ' HB2' ' A' ' 132' ' ' LEU . 88.5 m -103.91 132.95 49.67 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 107.031 -1.47 . . . . 25.0 107.031 -176.339 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -123.66 134.31 53.77 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.526 -0.916 . . . . 25.0 108.526 178.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.5 mp -110.76 126.99 55.17 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 104.729 -2.322 . . . . 25.0 104.729 178.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -130.49 132.92 45.89 Favored 'General case' 0 C--O 1.217 -0.622 0 CA-C-N 117.761 0.255 . . . . 25.0 111.342 -176.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 32.7 t -141.52 155.24 45.82 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.334 -0.987 . . . . 25.0 108.334 175.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 78.8 t80 . . . . . 0 C--N 1.321 -0.642 0 N-CA-C 108.144 -1.058 . . . . 25.0 108.144 176.018 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 46.3 m . . . . . 0 C--O 1.236 0.346 0 CA-C-O 121.15 0.5 . . . . 25.0 110.239 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -125.75 119.17 27.23 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 105.965 -1.865 . . . . 25.0 105.965 178.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -141.08 152.33 44.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.872 -0.604 . . . . 25.0 109.774 -167.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.0 mp -140.58 166.89 23.5 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 108.364 -0.976 . . . . 25.0 108.364 -179.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -139.3 149.49 44.3 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.944 0.402 . . . . 25.0 111.54 176.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.419 ' HB2' ' HB ' ' A' ' 114' ' ' THR . 35.6 mt -131.04 112.94 13.35 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.429 -1.323 . . . . 25.0 107.429 175.388 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -92.02 157.48 16.76 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 104.267 -2.494 . . . . 25.0 104.267 177.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 59.39 18.0 41.67 Favored Glycine 0 C--O 1.22 -0.741 0 CA-C-O 121.811 0.673 . . . . 25.0 113.782 178.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -67.09 133.6 50.18 Favored 'General case' 0 N--CA 1.444 -0.733 0 O-C-N 122.353 -0.498 . . . . 25.0 111.765 -174.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -73.19 72.8 1.24 Allowed 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 123.161 0.584 . . . . 25.0 111.083 176.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -65.61 -25.14 67.25 Favored 'General case' 0 C--O 1.219 -0.503 0 N-CA-C 109.728 -0.471 . . . . 25.0 109.728 177.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.78 -25.84 67.72 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.247 -0.433 . . . . 25.0 111.676 177.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 42.9 p -127.26 36.61 4.39 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 109.823 -0.436 . . . . 25.0 109.823 178.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.8 pp -58.91 159.69 6.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.902 0.858 . . . . 25.0 112.195 -177.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 41.3 t -148.19 144.59 27.83 Favored 'General case' 0 CA--C 1.508 -0.659 0 N-CA-C 107.106 -1.442 . . . . 25.0 107.106 173.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -84.12 -15.86 45.73 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.308 0.575 . . . . 25.0 109.481 178.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -84.06 10.19 61.35 Favored Glycine 0 CA--C 1.52 0.39 0 N-CA-C 116.187 1.235 . . . . 25.0 116.187 -175.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -67.01 -22.6 65.89 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 118.406 1.103 . . . . 25.0 112.29 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 1.3 pp -79.11 159.19 4.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.394 0.616 . . . . 25.0 111.164 179.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 7.0 p -56.86 -25.14 21.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 N-CA-C 114.366 1.247 . . . . 25.0 114.366 -178.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 . . . . . 0 C--N 1.327 -0.384 0 O-C-N 121.81 -0.556 . . . . 25.0 111.972 -177.87 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.477 0.906 0 CA-C-O 121.017 0.437 . . . . 25.0 111.223 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -95.71 165.68 24.71 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 121.069 -0.586 . . . . 25.0 113.09 -177.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.459 HG23 ' H ' ' A' ' 6' ' ' GLY . 5.8 t -98.46 -175.03 2.98 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 104.628 -2.36 . . . . 25.0 104.628 173.634 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -84.89 2.63 41.78 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 121.075 -1.015 . . . . 25.0 112.492 -178.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.459 ' H ' HG23 ' A' ' 4' ' ' THR . . . -84.8 -172.19 48.89 Favored Glycine 0 CA--C 1.52 0.383 0 N-CA-C 108.97 -1.652 . . . . 25.0 108.97 170.169 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 38.7 m-20 -83.6 131.24 34.98 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 118.327 1.064 . . . . 25.0 108.407 178.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -127.72 158.72 36.87 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-O 120.985 0.421 . . . . 50.0 112.056 -177.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 84.8 t -123.93 115.93 46.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 104.787 -2.301 . . . . 25.0 104.787 168.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 66.7 mt -118.38 135.87 54.08 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.274 -1.009 . . . . 25.0 108.274 -176.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 71.1 mt -133.32 129.46 56.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 N-CA-C 108.275 -1.009 . . . . 25.0 108.275 -177.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -92.22 170.49 32.96 Favored Glycine 0 C--O 1.228 -0.265 0 CA-C-O 121.617 0.565 . . . . 25.0 114.175 -178.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.9 t -99.03 -175.46 3.04 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 123.468 0.707 . . . . 25.0 109.692 178.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -69.77 -25.91 64.03 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 113.22 0.822 . . . . 25.0 113.22 -177.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 32.9 m -72.6 163.9 3.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 110.103 -0.332 . . . . 25.0 110.103 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.49 136.75 22.59 Favored Glycine 0 CA--C 1.516 0.121 0 N-CA-C 110.555 -1.018 . . . . 25.0 110.555 177.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -141.16 164.88 29.07 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.405 0.622 . . . . 50.0 112.644 -173.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -121.49 118.22 28.79 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 105.663 -1.977 . . . . 25.0 105.663 173.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 57.0 mt -127.1 123.91 63.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 109.832 -0.433 . . . . 25.0 109.832 -172.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 62.8 p -118.4 135.82 54.12 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.005 0.431 . . . . 25.0 110.215 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -91.37 -24.74 25.63 Favored Glycine 0 CA--C 1.517 0.186 0 N-CA-C 115.369 0.908 . . . . 25.0 115.369 -176.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 73.94 -162.73 54.45 Favored Glycine 0 C--O 1.244 0.725 0 CA-C-N 117.729 0.764 . . . . 25.0 111.411 -176.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.4 179.35 3.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 117.857 0.828 . . . . 25.0 109.53 177.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.5 165.66 37.11 Favored Glycine 0 C--O 1.238 0.381 0 N-CA-C 112.042 -0.423 . . . . 25.0 112.042 -178.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -87.02 112.18 21.6 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 107.196 -1.409 . . . . 25.0 107.196 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -118.3 166.53 12.51 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 113.682 0.993 . . . . 50.0 113.682 -171.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.5 ttm180 -123.66 128.71 50.05 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 104.813 -2.292 . . . . 25.0 104.813 168.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.0 mp -121.79 140.84 51.85 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 104.922 -2.251 . . . . 25.0 104.922 177.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.449 ' HA ' ' HB ' ' A' ' 47' ' ' THR . 59.5 t0 -134.14 133.73 41.36 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 104.46 -2.422 . . . . 25.0 104.46 174.078 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -95.73 -21.04 24.86 Favored Glycine 0 N--CA 1.447 -0.581 0 N-CA-C 111.625 -0.59 . . . . 25.0 111.625 -178.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 66.81 -156.36 51.61 Favored Glycine 0 C--O 1.243 0.694 0 N-CA-C 111.038 -0.825 . . . . 25.0 111.038 -175.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.17 173.61 9.18 Favored 'General case' 0 C--O 1.243 0.757 0 O-C-N 122.037 -0.684 . . . . 25.0 110.049 178.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 81.74 167.23 38.7 Favored Glycine 0 CA--C 1.51 -0.258 0 CA-C-N 115.844 -0.617 . . . . 25.0 111.712 -178.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -85.25 128.16 34.58 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 107.201 -1.407 . . . . 25.0 107.201 -178.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -132.58 153.32 51.12 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 114.026 1.121 . . . . 50.0 114.026 -171.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.2 mp -111.59 122.19 47.16 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 106.868 -1.53 . . . . 25.0 106.868 175.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.3 mp -124.08 124.3 42.22 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.106 0.41 . . . . 25.0 112.106 -177.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -113.02 119.87 39.39 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 116.218 -0.446 . . . . 25.0 110.021 178.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -74.5 -46.54 19.16 Favored Glycine 0 C--O 1.247 0.908 0 N-CA-C 115.733 1.053 . . . . 25.0 115.733 -176.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.2 -176.2 54.79 Favored Glycine 0 C--O 1.239 0.451 0 O-C-N 122.017 -0.696 . . . . 25.0 111.898 -177.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.85 155.37 16.46 Favored 'General case' 0 C--O 1.241 0.652 0 O-C-N 121.93 -0.747 . . . . 25.0 109.877 179.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.94 166.94 41.89 Favored Glycine 0 C--O 1.242 0.601 0 N-CA-C 110.806 -0.918 . . . . 25.0 110.806 -177.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.5 ptt180 -90.92 126.79 36.16 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 106.838 -1.542 . . . . 25.0 106.838 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -123.27 160.05 27.47 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-O 121.128 0.489 . . . . 50.0 111.411 -171.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -116.04 108.03 15.7 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 105.798 -1.927 . . . . 25.0 105.798 176.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.3 mt -103.48 97.97 7.93 Favored 'General case' 0 C--N 1.32 -0.678 0 O-C-N 123.746 0.654 . . . . 25.0 110.212 -173.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.449 ' HB ' ' HA ' ' A' ' 29' ' ' ASP . 7.9 m -92.48 114.48 27.04 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 108.481 -0.933 . . . . 25.0 108.481 -179.284 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -83.45 -38.71 10.5 Favored Glycine 0 C--O 1.24 0.475 0 C-N-CA 119.836 -1.173 . . . . 25.0 112.333 -177.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 72.63 -164.3 54.71 Favored Glycine 0 C--O 1.24 0.509 0 N-CA-C 110.939 -0.864 . . . . 25.0 110.939 -177.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.0 mt -65.9 156.72 32.6 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.113 0.482 . . . . 25.0 110.618 178.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.96 165.56 32.79 Favored Glycine 0 C--O 1.242 0.605 0 N-CA-C 110.627 -0.989 . . . . 25.0 110.627 -178.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.88 112.41 21.12 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 106.538 -1.653 . . . . 25.0 106.538 179.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -112.49 152.54 28.65 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.292 -0.413 . . . . 50.0 109.904 -174.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.2 t -125.99 136.17 52.68 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 108.904 -0.776 . . . . 25.0 108.904 174.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -112.36 125.78 54.56 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 106.417 -1.698 . . . . 25.0 106.417 -177.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 42.7 ttt-85 -121.16 148.84 43.68 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.533 0.682 . . . . 25.0 112.126 -171.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 52.2 p90 -76.24 146.95 38.66 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.074 -1.084 . . . . 25.0 108.074 171.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -119.85 -4.03 10.2 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.081 -0.711 . . . . 25.0 109.081 172.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.442 ' HG ' ' H ' ' A' ' 61' ' ' GLU . 26.4 tp -154.99 158.38 39.09 Favored 'General case' 0 C--O 1.221 -0.413 0 N-CA-C 108.726 -0.842 . . . . 25.0 108.726 -177.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 32.2 ptt85 -66.06 -26.13 67.35 Favored 'General case' 0 C--O 1.211 -0.922 0 O-C-N 122.029 -0.42 . . . . 25.0 110.319 174.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.442 ' H ' ' HG ' ' A' ' 59' ' ' LEU . 49.7 mt-10 -101.86 16.17 26.75 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.675 0.75 . . . . 25.0 111.802 -175.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -58.69 -30.9 67.74 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.67 -0.695 . . . . 25.0 111.638 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 45.4 m -127.33 48.88 2.16 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.369 0.668 . . . . 25.0 111.811 -178.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 15.3 t-160 -101.75 142.86 32.43 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 113.642 0.978 . . . . 25.0 113.642 -169.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -129.22 131.93 47.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.388 0.613 . . . . 25.0 109.419 170.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 91.2 p -121.03 166.33 16.17 Favored Pre-proline 0 C--N 1.319 -0.76 0 N-CA-C 106.058 -1.83 . . . . 25.0 106.058 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -71.23 -4.63 15.32 Favored 'Trans proline' 0 CA--C 1.533 0.474 0 C-N-CA 115.572 -2.485 . . . . 25.0 113.071 176.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 68.6 mt -102.58 -4.6 24.99 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 111.763 0.283 . . . . 25.0 111.763 -178.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 165.7 158.27 10.63 Favored Glycine 0 N--CA 1.458 0.133 0 C-N-CA 120.521 -0.847 . . . . 25.0 114.231 -178.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.4 t -112.75 134.13 54.42 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.454 0.645 . . . . 25.0 111.451 -179.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -128.34 15.45 6.65 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.234 -0.894 . . . . 25.0 108.697 -178.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 67.2 p -71.55 146.33 48.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.669 -0.696 . . . . 25.0 110.532 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -93.58 156.41 16.74 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 113.502 0.927 . . . . 50.0 113.502 -177.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.2 mp -117.47 131.55 56.71 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 105.552 -2.018 . . . . 25.0 105.552 175.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 31.0 mt -105.59 142.37 18.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 106.119 -1.808 . . . . 25.0 106.119 177.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -126.31 151.54 47.39 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 108.032 -1.099 . . . . 25.0 108.032 -174.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 54.73 44.6 28.27 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 122.243 1.02 . . . . 25.0 109.849 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -83.97 127.86 34.16 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.602 -1.181 . . . . 25.0 111.478 -178.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -102.56 101.09 18.19 Favored Pre-proline 0 C--N 1.322 -0.598 0 N-CA-C 108.372 -0.973 . . . . 25.0 108.372 178.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -69.01 -4.58 13.81 Favored 'Trans proline' 0 C--N 1.343 0.267 0 N-CA-C 115.16 1.177 . . . . 25.0 115.16 -178.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.7 t -98.74 -3.78 34.98 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 111.823 0.305 . . . . 25.0 111.823 176.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 44.8 mm-40 -140.91 -38.74 0.42 Allowed 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 114.792 1.404 . . . . 25.0 114.792 -173.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -81.41 158.84 24.47 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.864 0.364 . . . . 50.0 111.747 -172.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 27.6 tptt -132.91 152.98 51.81 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 111.877 0.325 . . . . 25.0 111.877 -178.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 20.8 mt -130.71 120.48 48.06 Favored 'Isoleucine or valine' 0 C--O 1.239 0.54 0 CA-C-O 120.853 0.358 . . . . 25.0 111.007 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.0 119.28 35.18 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.311 -0.626 . . . . 25.0 109.311 176.203 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.7 m -130.18 25.31 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 CA-C-O 122.225 1.012 . . . . 25.0 109.353 179.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.31 -13.52 19.79 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 115.323 1.601 . . . . 25.0 115.323 -174.307 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.96 -18.23 61.39 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 112.936 0.717 . . . . 25.0 112.936 178.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 24.2 mt -86.83 -53.27 5.01 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 107.182 -1.414 . . . . 25.0 107.182 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.473 0 N-CA-C 109.238 -1.545 . . . . 25.0 109.238 -176.545 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 . . . . . 0 N--CA 1.469 0.522 0 N-CA-C 110.221 -0.289 . . . . 25.0 110.221 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 83.84 1.88 89.8 Favored Glycine 0 N--CA 1.461 0.336 0 N-CA-C 114.349 0.5 . . . . 25.0 114.349 -177.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.486 ' HA ' ' HB3' ' A' ' 119' ' ' TYR . 87.6 m-85 -139.77 152.83 46.9 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.786 -0.45 . . . . 25.0 109.786 -179.127 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 58.54 48.61 11.69 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 113.844 1.053 . . . . 25.0 113.844 176.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 76.34 31.55 54.38 Favored Glycine 0 CA--C 1.51 -0.248 0 C-N-CA 120.761 -0.733 . . . . 25.0 111.802 174.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 27.9 p -134.8 149.51 50.4 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 105.667 -1.975 . . . . 25.0 105.667 178.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.3 mt -94.97 150.24 20.38 Favored 'General case' 0 C--O 1.217 -0.629 0 N-CA-C 116.203 1.927 . . . . 25.0 116.203 -169.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -145.17 160.32 41.62 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 107.328 -1.36 . . . . 25.0 107.328 168.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 11.6 p -125.68 152.03 32.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 107.11 -1.441 . . . . 25.0 107.11 178.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 46.9 m -145.13 161.66 38.94 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 107.989 -1.115 . . . . 25.0 107.989 178.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 72.3 mt . . . . . 0 C--N 1.324 -0.503 0 N-CA-C 107.82 -1.178 . . . . 25.0 107.82 178.944 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 58.9 mtt85 . . . . . 0 CA--C 1.503 -0.859 0 N-CA-C 107.92 -1.141 . . . . 25.0 107.92 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 13.1 m -131.92 150.12 52.24 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 106.88 -1.526 . . . . 25.0 106.88 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -136.25 149.05 48.32 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.485 -0.932 . . . . 25.0 108.485 -178.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 49.4 mt -130.41 138.94 50.59 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.506 -1.294 . . . . 25.0 107.506 178.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 35.6 tttt -140.6 134.3 30.3 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 113.632 0.975 . . . . 25.0 113.632 -177.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 28.3 t -111.68 -36.91 5.33 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 123.794 0.684 . . . . 25.0 111.452 176.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . 0.486 ' HB3' ' HA ' ' A' ' 99' ' ' TYR . 30.2 t80 . . . . . 0 N--CA 1.481 1.105 0 C-N-CA 123.523 0.729 . . . . 25.0 112.63 179.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.456 ' HA ' ' HA ' ' A' ' 119' ' ' TYR . 9.3 t . . . . . 0 N--CA 1.444 -0.734 0 N-CA-C 109.045 -0.724 . . . . 25.0 109.045 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -131.99 123.22 26.9 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 105.061 -2.2 . . . . 25.0 105.061 175.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -146.26 153.48 40.63 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.669 -1.15 . . . . 25.0 110.352 -168.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 5.3 mp -137.23 165.12 26.9 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 107.489 -1.3 . . . . 25.0 107.489 177.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -143.3 154.58 43.93 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.774 0.321 . . . . 25.0 110.292 176.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 40.4 mt -125.28 131.86 53.01 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 105.226 -2.139 . . . . 25.0 105.226 175.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -114.65 135.17 54.45 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 106.425 -1.694 . . . . 25.0 106.425 177.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 76.31 19.63 78.08 Favored Glycine 0 C--O 1.224 -0.479 0 C-N-CA 120.576 -0.821 . . . . 25.0 112.041 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -64.67 140.99 58.92 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 122.449 -0.442 . . . . 25.0 110.633 -179.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -76.16 78.02 2.98 Favored 'General case' 0 C--O 1.219 -0.549 0 N-CA-C 109.632 -0.507 . . . . 25.0 109.632 174.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -60.8 -29.08 69.23 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.23 0.538 . . . . 25.0 110.094 177.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -62.09 -27.07 68.66 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 115.716 -0.675 . . . . 25.0 111.981 177.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 76.6 p -125.09 28.61 6.34 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 111.97 0.359 . . . . 25.0 111.97 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.7 pp -63.37 154.38 32.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.554 0.692 . . . . 25.0 111.442 -177.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 47.5 t -146.19 153.5 40.7 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.285 -1.005 . . . . 25.0 108.285 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -82.8 11.95 5.37 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 112.702 0.631 . . . . 25.0 112.702 -178.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -103.79 10.16 52.33 Favored Glycine 0 C--O 1.221 -0.66 0 N-CA-C 115.771 1.068 . . . . 25.0 115.771 -176.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -61.34 -42.91 99.47 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 113.775 1.028 . . . . 25.0 113.775 -174.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 98.7 mt -80.71 148.69 5.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 107.422 -1.325 . . . . 25.0 107.422 -175.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 9.9 p -51.4 -33.97 14.8 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 N-CA-C 114.358 1.244 . . . . 25.0 114.358 -178.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 . . . . . 0 C--N 1.328 -0.369 0 N-CA-C 111.888 0.329 . . . . 25.0 111.888 178.888 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 . . . . . 0 CA--C 1.516 -0.354 0 N-CA-C 107.008 -1.478 . . . . 25.0 107.008 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -95.16 -179.1 37.2 Favored Glycine 0 N--CA 1.45 -0.377 0 CA-C-O 121.663 0.591 . . . . 25.0 113.019 -177.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 81.0 p -109.34 -177.16 3.22 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 105.605 -1.998 . . . . 25.0 105.605 176.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -87.87 6.1 37.14 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.854 0.835 . . . . 25.0 111.147 175.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -89.49 -165.24 40.83 Favored Glycine 0 CA--C 1.517 0.188 0 N-CA-C 108.685 -1.766 . . . . 25.0 108.685 171.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -90.2 125.94 35.65 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.342 -0.984 . . . . 25.0 108.342 178.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -123.52 154.06 39.71 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 121.155 0.502 . . . . 50.0 111.752 -177.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 92.2 t -126.52 111.05 24.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 104.427 -2.434 . . . . 25.0 104.427 169.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 85.3 mt -120.5 137.33 54.42 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.829 -0.169 . . . . 25.0 110.673 -175.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.424 ' HA ' ' HB2' ' A' ' 29' ' ' ASP . 80.1 mt -125.76 127.1 71.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 108.274 -1.01 . . . . 25.0 108.274 179.341 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -85.67 167.63 40.82 Favored Glycine 0 N--CA 1.452 -0.296 0 CA-C-O 121.652 0.585 . . . . 25.0 113.965 -178.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.1 t -94.96 -178.07 4.37 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 123.703 0.801 . . . . 25.0 110.125 179.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -74.16 -20.45 60.22 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 113.244 0.831 . . . . 25.0 113.244 -178.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.6 m -74.42 164.38 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 109.516 -0.55 . . . . 25.0 109.516 177.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.91 138.8 27.52 Favored Glycine 0 CA--C 1.518 0.221 0 N-CA-C 110.279 -1.128 . . . . 25.0 110.279 177.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -144.48 166.48 25.02 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 117.528 0.664 . . . . 50.0 112.558 -174.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -118.14 122.38 42.92 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 104.937 -2.246 . . . . 25.0 104.937 169.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 33.5 mm -118.38 130.52 73.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 106.97 -1.493 . . . . 25.0 106.97 -175.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 80.6 p -125.74 139.17 53.75 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 121.906 -0.496 . . . . 25.0 110.562 179.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -92.19 -35.08 6.81 Favored Glycine 0 C--O 1.227 -0.292 0 C-N-CA 121.087 -0.577 . . . . 25.0 113.82 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 71.42 -159.96 53.95 Favored Glycine 0 C--O 1.245 0.8 0 N-CA-C 110.378 -1.089 . . . . 25.0 110.378 -176.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.01 178.79 3.56 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 118.3 1.05 . . . . 25.0 108.584 175.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.12 167.03 37.21 Favored Glycine 0 C--O 1.243 0.71 0 C-N-CA 120.846 -0.692 . . . . 25.0 112.728 -179.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -92.48 110.88 22.3 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.366 -0.605 . . . . 25.0 109.366 -175.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -120.05 162.01 19.99 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 114.621 1.341 . . . . 50.0 114.621 -169.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 20.0 ttt85 -124.91 129.99 51.49 Favored 'General case' 0 CA--C 1.51 -0.586 0 N-CA-C 104.732 -2.321 . . . . 25.0 104.732 167.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 61.0 mt -125.66 133.81 52.06 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.062 -1.088 . . . . 25.0 108.062 -178.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.424 ' HB2' ' HA ' ' A' ' 11' ' ' ILE . 5.7 m-20 -121.67 138.34 54.38 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 105.855 -1.906 . . . . 25.0 105.855 173.291 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -96.57 -26.31 10.96 Favored Glycine 0 C--N 1.32 -0.325 0 C-N-CA 121.472 -0.394 . . . . 25.0 112.598 -179.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 72.23 -160.38 54.03 Favored Glycine 0 C--O 1.245 0.785 0 N-CA-C 110.827 -0.909 . . . . 25.0 110.827 -176.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.5 175.38 7.09 Favored 'General case' 0 C--O 1.245 0.851 0 O-C-N 122.239 -0.565 . . . . 25.0 109.707 178.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.33 167.92 34.8 Favored Glycine 0 C--O 1.241 0.541 0 N-CA-C 110.565 -1.014 . . . . 25.0 110.565 -177.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -82.58 136.19 34.88 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 106.934 -1.506 . . . . 25.0 106.934 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -137.55 150.5 47.53 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 113.644 0.979 . . . . 50.0 113.644 -173.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.2 mp -109.15 130.49 55.48 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 105.453 -2.055 . . . . 25.0 105.453 175.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.7 mp -131.44 111.33 11.71 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 112.613 0.597 . . . . 25.0 112.613 -177.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -97.64 127.38 43.55 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 122.462 0.305 . . . . 25.0 111.322 179.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -81.94 -55.81 3.05 Favored Glycine 0 C--O 1.251 1.162 0 N-CA-C 116.24 1.256 . . . . 25.0 116.24 -177.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.24 -173.68 55.27 Favored Glycine 0 C--O 1.24 0.517 0 O-C-N 122.25 -0.559 . . . . 25.0 112.241 -177.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.68 162.99 12.17 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 122.288 -0.536 . . . . 25.0 110.682 178.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 85.13 168.11 44.22 Favored Glycine 0 N--CA 1.463 0.468 0 N-CA-C 110.871 -0.891 . . . . 25.0 110.871 -177.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.0 ptp85 -85.8 127.61 34.6 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 118.345 1.072 . . . . 25.0 108.703 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -122.68 148.72 44.96 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 116.143 -0.48 . . . . 50.0 110.715 -173.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? -124.31 103.35 8.17 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 106.119 -1.808 . . . . 25.0 106.119 -178.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.9 mp -108.23 117.19 33.49 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.502 -0.317 . . . . 25.0 111.603 -169.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.7 m -108.71 115.91 30.98 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 122.568 0.347 . . . . 25.0 110.423 -178.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -80.59 -42.03 10.56 Favored Glycine 0 C--O 1.244 0.738 0 C-N-CA 120.01 -1.09 . . . . 25.0 114.326 -176.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 72.71 -163.6 54.8 Favored Glycine 0 CA--C 1.52 0.361 0 N-CA-C 111.119 -0.792 . . . . 25.0 111.119 -177.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 95.5 mt -64.87 158.0 26.37 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-O 121.004 0.43 . . . . 25.0 111.003 178.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 92.22 167.98 40.09 Favored Glycine 0 C--O 1.246 0.893 0 N-CA-C 110.413 -1.075 . . . . 25.0 110.413 -177.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -84.6 123.41 30.29 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 106.51 -1.663 . . . . 25.0 106.51 178.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -121.08 150.02 41.84 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.373 -0.603 . . . . 50.0 109.373 -175.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.7 t -126.25 129.46 48.97 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.741 -0.837 . . . . 25.0 108.741 174.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -107.2 130.86 54.67 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 105.98 -1.859 . . . . 25.0 105.98 -176.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 52.2 ttt180 -127.3 140.03 52.49 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 113.935 1.087 . . . . 25.0 113.935 -169.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -90.26 150.63 21.87 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 114.743 -1.117 . . . . 25.0 108.84 176.133 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -101.73 -44.57 5.51 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.45 -0.574 . . . . 25.0 109.45 177.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 41.0 tp -140.42 158.69 43.62 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 105.987 -1.856 . . . . 25.0 105.987 178.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 39.9 ptt180 -61.17 -20.84 63.2 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-O 121.346 0.593 . . . . 25.0 111.776 179.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -83.27 3.73 30.04 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.826 -0.625 . . . . 25.0 111.163 -178.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -61.38 -32.09 72.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.448 -0.342 . . . . 25.0 110.09 175.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.7 p -131.55 93.58 3.36 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.492 0.663 . . . . 25.0 109.44 -177.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 49.4 t-80 -138.01 153.4 49.4 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.752 -0.658 . . . . 25.0 109.691 -173.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 -132.73 153.56 51.05 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 108.955 -0.757 . . . . 25.0 108.955 175.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 89.1 p -151.08 166.63 14.67 Favored Pre-proline 0 C--N 1.322 -0.599 0 N-CA-C 106.723 -1.584 . . . . 25.0 106.723 -176.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -70.01 -11.32 30.28 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 115.946 -2.236 . . . . 25.0 112.975 176.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 83.1 mt -88.54 -3.02 58.9 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 122.304 0.242 . . . . 25.0 111.496 179.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 144.72 172.25 15.11 Favored Glycine 0 C--O 1.235 0.203 0 C-N-CA 120.754 -0.736 . . . . 25.0 114.073 179.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.8 t -107.2 141.24 38.8 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.289 0.566 . . . . 25.0 111.014 -178.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -128.59 16.95 6.43 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 106.039 -1.837 . . . . 25.0 106.039 177.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 46.4 t -66.33 145.91 55.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.498 -1.228 . . . . 25.0 109.64 -178.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -98.74 148.75 23.55 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.337 -0.392 . . . . 50.0 111.593 -178.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.6 mp -118.11 131.21 56.44 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 106.946 -1.501 . . . . 25.0 106.946 177.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 52.8 mt -106.63 142.23 19.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 N-CA-C 102.839 -3.023 . . . . 25.0 102.839 169.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 40.5 mt -122.48 141.05 52.05 Favored 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 108.812 -0.81 . . . . 25.0 108.812 -172.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 54.68 47.78 21.76 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 122.284 1.04 . . . . 25.0 111.618 174.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -79.42 133.8 36.55 Favored 'General case' 0 C--O 1.241 0.635 0 CA-C-N 114.736 -1.12 . . . . 25.0 111.46 -177.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -98.43 103.11 16.65 Favored Pre-proline 0 N--CA 1.467 0.419 0 CA-C-N 116.183 -0.462 . . . . 25.0 110.066 177.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -73.17 8.27 1.82 Allowed 'Trans proline' 0 CA--C 1.536 0.585 0 N-CA-C 115.004 1.117 . . . . 25.0 115.004 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 19.9 t -107.76 -7.71 16.27 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 115.864 -0.607 . . . . 25.0 110.451 177.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 25.4 mm-40 -141.39 -33.86 0.5 Allowed 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 114.538 1.311 . . . . 25.0 114.538 -174.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -91.71 157.49 16.9 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.289 0.566 . . . . 50.0 112.091 -170.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -135.18 154.61 51.56 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.899 -0.591 . . . . 25.0 110.218 -175.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 42.7 mt -121.64 117.33 52.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 107.769 -1.197 . . . . 25.0 107.769 176.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -86.14 111.76 20.67 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.062 -0.718 . . . . 25.0 109.062 -179.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 23.8 m -132.51 160.1 42.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 108.517 -0.92 . . . . 25.0 108.517 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 48.4 t -156.87 -73.41 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.833 0.309 . . . . 25.0 111.833 178.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -76.87 41.48 0.28 Allowed 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 115.174 1.546 . . . . 25.0 115.174 -174.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 15.6 mt -105.72 -41.98 5.3 Favored 'General case' 0 C--O 1.218 -0.563 0 N-CA-C 106.895 -1.521 . . . . 25.0 106.895 176.117 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.517 0 N-CA-C 116.752 1.461 . . . . 25.0 116.752 172.681 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 . . . . . 0 N--CA 1.473 0.702 0 N-CA-C 115.753 1.76 . . . . 25.0 115.753 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 77.66 16.27 80.36 Favored Glycine 0 C--N 1.321 -0.268 0 C-N-CA 119.969 -1.11 . . . . 25.0 113.097 -177.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -137.82 166.5 23.85 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.186 -1.042 . . . . 25.0 108.186 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 53.26 42.16 32.11 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.247 0.619 . . . . 25.0 111.88 178.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 80.63 3.46 90.21 Favored Glycine 0 C--O 1.225 -0.431 0 C-N-CA 120.966 -0.635 . . . . 25.0 114.654 177.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 63.4 p -100.02 158.83 15.55 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 118.388 1.094 . . . . 25.0 109.072 178.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 14.2 mt -94.54 171.49 8.77 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 123.534 0.734 . . . . 25.0 109.309 177.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -149.03 153.31 37.69 Favored 'General case' 0 C--O 1.24 0.596 0 N-CA-C 101.158 -3.645 . . . . 25.0 101.158 170.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 9.0 p -140.05 153.92 22.97 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 N-CA-C 113.189 0.811 . . . . 25.0 113.189 -173.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 50.1 m -138.43 148.36 44.34 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 102.196 -3.261 . . . . 25.0 102.196 171.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.433 ' HA ' ' HA ' ' A' ' 114' ' ' THR . 1.7 mp . . . . . 0 N--CA 1.473 0.676 0 N-CA-C 114.738 1.384 . . . . 25.0 114.738 -171.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 64.9 mtt85 . . . . . 0 N--CA 1.499 1.977 0 CA-C-O 121.949 0.88 . . . . 25.0 110.515 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.433 ' HA ' ' HA ' ' A' ' 107' ' ' LEU . 29.1 m -99.95 138.71 36.66 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 107.027 -1.472 . . . . 25.0 107.027 -178.075 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -132.31 141.13 48.84 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 108.01 -1.107 . . . . 25.0 108.01 178.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 5.1 mp -126.41 129.29 48.46 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 106.432 -1.692 . . . . 25.0 106.432 -179.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -128.98 133.7 47.88 Favored 'General case' 0 C--N 1.322 -0.605 0 O-C-N 122.931 0.144 . . . . 25.0 110.787 -176.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.0 t -143.41 157.13 44.71 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.173 -1.047 . . . . 25.0 108.173 174.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 64.5 t80 . . . . . 0 C--N 1.321 -0.648 0 N-CA-C 106.44 -1.689 . . . . 25.0 106.44 176.407 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 47.7 m . . . . . 0 C--O 1.232 0.156 0 N-CA-C 109.754 -0.461 . . . . 25.0 109.754 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -113.36 109.0 18.0 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 106.414 -1.699 . . . . 25.0 106.414 177.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -136.05 145.76 46.35 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.094 -0.503 . . . . 25.0 110.676 -169.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.8 mp -136.0 166.99 22.06 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.399 0.68 . . . . 25.0 109.873 -176.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -143.29 153.54 42.86 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.673 -0.492 . . . . 25.0 109.673 175.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 13.1 mt -140.72 112.55 7.61 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 108.427 -0.953 . . . . 25.0 108.427 178.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -99.75 155.05 17.84 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.186 -0.672 . . . . 25.0 109.186 -175.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 60.52 27.11 65.44 Favored Glycine 0 C--O 1.221 -0.665 0 C-N-CA 120.906 -0.664 . . . . 25.0 113.157 174.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -84.7 142.94 29.52 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 122.2 -0.588 . . . . 25.0 110.115 -176.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 70.9 m80 -76.55 76.31 3.25 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.386 -0.824 . . . . 25.0 109.915 176.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -64.14 -26.41 68.52 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.062 -0.517 . . . . 25.0 109.72 178.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.65 -26.36 67.96 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.115 -0.493 . . . . 25.0 110.885 176.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 71.1 p -125.28 36.62 4.54 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.756 -0.202 . . . . 25.0 110.561 178.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.8 pp -60.11 153.71 21.17 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.286 0.565 . . . . 25.0 110.775 -177.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 90.8 p -149.31 159.39 44.31 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.653 -0.869 . . . . 25.0 108.653 -179.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -98.62 -6.61 29.53 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 121.206 0.527 . . . . 25.0 110.482 178.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -79.9 0.95 81.18 Favored Glycine 0 C--O 1.221 -0.704 0 CA-C-N 116.162 -0.472 . . . . 25.0 114.156 -176.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -71.88 -14.74 62.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.311 0.577 . . . . 25.0 111.436 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 62.8 mt -85.6 131.44 34.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 105.818 -1.919 . . . . 25.0 105.818 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 10.0 p -55.46 -20.9 8.25 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.773 0 N-CA-C 114.677 1.362 . . . . 25.0 114.677 -177.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 . . . . . 0 C--N 1.326 -0.422 0 O-C-N 121.552 -0.717 . . . . 25.0 111.506 178.901 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 26.5 pt20 . . . . . 0 N--CA 1.478 0.956 0 N-CA-C 112.029 0.381 . . . . 25.0 112.029 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -84.78 162.43 37.46 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.93 -0.653 . . . . 25.0 113.888 -175.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.5 t -137.94 -170.0 2.68 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 106.329 -1.73 . . . . 25.0 106.329 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -69.34 147.29 51.3 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.991 -0.744 . . . . 25.0 108.991 177.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 97.26 -174.43 29.79 Favored Glycine 0 CA--C 1.517 0.167 0 N-CA-C 108.587 -1.805 . . . . 25.0 108.587 -172.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 36.4 m-20 -93.45 134.41 35.73 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 118.347 1.074 . . . . 25.0 110.73 -175.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -126.18 154.21 43.56 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.024 0.44 . . . . 50.0 111.196 -179.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 96.9 t -124.93 113.53 36.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 104.758 -2.312 . . . . 25.0 104.758 170.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 43.1 mt -121.38 133.16 55.09 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.817 -0.809 . . . . 25.0 108.817 -173.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.424 ' HA ' ' HB3' ' A' ' 29' ' ' ASP . 77.5 mt -132.7 127.0 55.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 107.748 -1.204 . . . . 25.0 107.748 179.465 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -89.15 -174.98 46.56 Favored Glycine 0 N--CA 1.452 -0.265 0 CA-C-O 121.836 0.687 . . . . 25.0 113.675 -178.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 88.0 p -116.67 -177.02 3.09 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 123.593 0.757 . . . . 25.0 109.35 -178.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -72.31 -14.22 61.69 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 115.618 1.71 . . . . 25.0 115.618 -175.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.8 m -83.06 166.96 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 N-CA-C 109.197 -0.668 . . . . 25.0 109.197 177.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.62 135.72 22.32 Favored Glycine 0 CA--C 1.515 0.078 0 N-CA-C 110.893 -0.883 . . . . 25.0 110.893 178.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -141.61 161.74 37.2 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.232 0.539 . . . . 50.0 112.1 -173.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -119.08 119.32 33.87 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 106.012 -1.847 . . . . 25.0 106.012 172.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 68.9 mt -128.88 127.51 66.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 109.269 -0.641 . . . . 25.0 109.269 -174.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 99.0 p -121.44 142.7 49.78 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.354 -0.609 . . . . 25.0 109.354 174.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -94.29 -22.9 23.52 Favored Glycine 0 C--O 1.235 0.202 0 C-N-CA 121.271 -0.49 . . . . 25.0 112.631 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 71.91 -157.97 53.24 Favored Glycine 0 C--O 1.244 0.719 0 C-N-CA 121.013 -0.613 . . . . 25.0 111.962 -178.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.43 170.1 13.95 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.111 -0.7 . . . . 25.0 109.111 178.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.37 171.53 48.23 Favored Glycine 0 C--O 1.238 0.394 0 N-CA-C 111.581 -0.607 . . . . 25.0 111.581 -179.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -90.77 118.4 30.16 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 107.637 -1.246 . . . . 25.0 107.637 -178.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -126.59 158.09 37.16 Favored 'General case' 0 C--O 1.24 0.581 0 N-CA-C 113.293 0.849 . . . . 50.0 113.293 -171.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 56.6 ttt85 -110.1 129.89 55.62 Favored 'General case' 0 CA--C 1.509 -0.624 0 N-CA-C 105.139 -2.171 . . . . 25.0 105.139 164.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.8 mp -116.03 140.5 49.21 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 103.335 -2.839 . . . . 25.0 103.335 172.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.424 ' HB3' ' HA ' ' A' ' 11' ' ' ILE . 35.0 t0 -141.05 131.54 25.34 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 104.745 -2.317 . . . . 25.0 104.745 177.232 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -101.34 -22.42 10.55 Favored Glycine 0 C--N 1.319 -0.403 0 N-CA-C 114.124 0.41 . . . . 25.0 114.124 -173.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 64.67 -155.93 47.1 Favored Glycine 0 C--O 1.245 0.834 0 C-N-CA 120.536 -0.84 . . . . 25.0 111.307 -174.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.33 174.92 8.16 Favored 'General case' 0 C--O 1.242 0.67 0 O-C-N 121.696 -0.885 . . . . 25.0 110.788 179.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 81.63 163.75 32.02 Favored Glycine 0 C--O 1.234 0.103 0 N-CA-C 110.468 -1.053 . . . . 25.0 110.468 -177.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -81.45 132.47 35.32 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 106.781 -1.563 . . . . 25.0 106.781 -179.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -134.52 153.89 51.72 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 113.604 0.964 . . . . 50.0 113.604 -172.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.7 mp -110.94 125.41 53.66 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.268 -1.382 . . . . 25.0 107.268 175.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.6 mp -125.16 108.39 11.73 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.177 0.513 . . . . 25.0 112.123 -176.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -96.92 105.76 17.96 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 109.525 -0.546 . . . . 25.0 109.525 177.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -62.59 -44.34 97.68 Favored Glycine 0 C--O 1.246 0.859 0 C-N-CA 120.481 -0.866 . . . . 25.0 113.358 -177.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.31 174.15 45.4 Favored Glycine 0 CA--C 1.518 0.257 0 O-C-N 122.136 -0.626 . . . . 25.0 111.759 -179.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.6 152.95 11.05 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 122.133 -0.628 . . . . 25.0 110.233 178.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 94.96 170.39 36.78 Favored Glycine 0 C--O 1.24 0.521 0 N-CA-C 110.08 -1.208 . . . . 25.0 110.08 -175.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.2 ptp85 -91.56 133.18 35.75 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 106.791 -1.559 . . . . 25.0 106.791 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -131.68 162.48 30.33 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 112.647 0.61 . . . . 50.0 112.647 -171.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -121.99 110.4 15.77 Favored 'General case' 0 CA--C 1.511 -0.533 0 N-CA-C 106.135 -1.802 . . . . 25.0 106.135 176.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.5 mp -107.98 105.67 15.55 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.343 -0.614 . . . . 25.0 109.343 -173.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.6 m -97.01 113.44 24.98 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.296 -1.001 . . . . 25.0 108.296 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -81.57 -39.81 11.78 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 119.658 -1.258 . . . . 25.0 112.786 -176.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.496 ' H ' ' HB2' ' A' ' 77' ' ' ASP . . . 74.64 -164.17 54.54 Favored Glycine 0 C--O 1.243 0.716 0 N-CA-C 111.04 -0.824 . . . . 25.0 111.04 -177.323 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.9 mp -63.88 154.09 34.84 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.39 -0.596 . . . . 25.0 109.39 178.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 95.86 166.08 34.45 Favored Glycine 0 C--O 1.244 0.735 0 N-CA-C 111.272 -0.731 . . . . 25.0 111.272 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -82.1 120.38 25.24 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 106.449 -1.686 . . . . 25.0 106.449 178.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -119.79 144.21 47.43 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 109.375 -0.602 . . . . 50.0 109.375 -175.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 6.8 t -114.35 128.03 56.15 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.362 -0.977 . . . . 25.0 108.362 175.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -109.21 121.52 45.34 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 105.714 -1.958 . . . . 25.0 105.714 -177.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 75.2 ttt-85 -132.67 146.39 51.83 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 114.559 1.318 . . . . 25.0 114.559 -163.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 35.0 p90 -77.12 152.35 34.97 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.016 -0.993 . . . . 25.0 111.28 176.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -108.18 -28.67 9.35 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 109.144 -0.687 . . . . 25.0 109.144 169.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -133.87 163.73 28.85 Favored 'General case' 0 C--O 1.214 -0.787 0 N-CA-C 106.787 -1.56 . . . . 25.0 106.787 178.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.22 -14.25 62.53 Favored 'General case' 0 C--O 1.212 -0.872 0 O-C-N 121.609 -0.682 . . . . 25.0 111.827 175.138 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -102.84 12.32 36.34 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.134 0.574 . . . . 25.0 111.216 -178.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -53.82 -36.21 62.27 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 113.814 1.042 . . . . 25.0 113.814 -175.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.8 p -142.45 100.59 3.72 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.887 -0.783 . . . . 25.0 108.887 178.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 36.0 p-80 -140.93 169.87 16.81 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.449 -0.341 . . . . 25.0 110.555 -176.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -135.88 149.68 49.09 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.724 -1.214 . . . . 25.0 107.724 176.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 99.3 p -155.21 170.67 8.3 Favored Pre-proline 0 C--N 1.321 -0.638 0 N-CA-C 106.016 -1.846 . . . . 25.0 106.016 -176.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -70.3 -8.16 22.95 Favored 'Trans proline' 0 CA--C 1.537 0.644 0 C-N-CA 115.115 -2.79 . . . . 25.0 113.579 176.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.9 mp -77.31 -11.92 59.89 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 109.75 -0.463 . . . . 25.0 109.75 175.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 141.59 175.3 15.0 Favored Glycine 0 N--CA 1.451 -0.302 0 CA-C-O 121.967 0.76 . . . . 25.0 112.929 178.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.5 t -97.55 131.48 44.11 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.94 -0.763 . . . . 25.0 108.94 177.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -126.18 22.38 7.23 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 107.46 -1.311 . . . . 25.0 107.46 -179.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 68.3 p -72.72 152.31 41.73 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.271 -0.877 . . . . 25.0 110.916 -178.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -96.24 155.42 16.77 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.201 -0.454 . . . . 50.0 109.832 177.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.6 mp -123.38 131.27 53.6 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 106.818 -1.549 . . . . 25.0 106.818 177.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 61.5 mt -108.0 144.88 15.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 106.538 -1.653 . . . . 25.0 106.538 -178.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -124.67 152.98 42.99 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 108.013 -1.106 . . . . 25.0 108.013 -175.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.496 ' HB2' ' H ' ' A' ' 49' ' ' GLY . 65.7 m-20 56.58 44.44 23.98 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-O 122.119 0.961 . . . . 25.0 110.137 178.616 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -83.74 123.94 30.37 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.674 -1.148 . . . . 25.0 112.174 -177.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -95.89 104.94 18.3 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.154 -0.93 . . . . 25.0 108.778 177.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_endo -69.64 -6.0 17.48 Favored 'Trans proline' 0 C--N 1.345 0.38 0 N-CA-C 115.095 1.152 . . . . 25.0 115.095 -177.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.1 m -101.66 -2.24 30.81 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.598 0.592 . . . . 25.0 112.598 178.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -142.11 -38.17 0.38 Allowed 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 115.158 1.54 . . . . 25.0 115.158 -174.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -77.36 157.5 30.61 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.327 0.585 . . . . 50.0 111.589 -172.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 22.6 tptt -129.55 151.57 50.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.505 . . . . 25.0 111.783 -176.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 33.1 mt -128.66 115.94 39.32 Favored 'Isoleucine or valine' 0 C--O 1.245 0.868 0 N-CA-C 109.699 -0.482 . . . . 25.0 109.699 179.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -88.72 112.97 23.78 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.497 -0.557 . . . . 25.0 109.497 178.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 16.4 m -130.11 29.16 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 107.693 -1.225 . . . . 25.0 107.693 175.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.21 -8.7 18.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.661 -1.154 . . . . 25.0 113.515 -177.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.25 -17.24 63.74 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.217 0.451 . . . . 25.0 112.217 177.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 15.5 mt -116.07 -58.4 2.11 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.728 0.775 . . . . 25.0 109.669 -176.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.237 0 N-CA-C 108.587 -1.805 . . . . 25.0 108.587 -172.764 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 . . . . . 0 N--CA 1.471 0.588 0 CA-C-O 121.098 0.475 . . . . 25.0 109.874 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 76.04 -8.37 23.81 Favored Glycine 0 N--CA 1.463 0.434 0 N-CA-C 116.286 1.274 . . . . 25.0 116.286 -178.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -141.42 167.76 21.39 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 107.779 -1.193 . . . . 25.0 107.779 -176.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 55.6 50.97 13.38 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.391 0.676 . . . . 25.0 111.409 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 71.52 25.68 74.75 Favored Glycine 0 C--O 1.226 -0.365 0 CA-C-N 115.665 -0.698 . . . . 25.0 114.475 174.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 34.7 p -127.58 166.6 17.73 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.101 -0.703 . . . . 25.0 109.101 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -102.2 168.57 9.27 Favored 'General case' 0 C--O 1.213 -0.849 0 N-CA-C 112.774 0.657 . . . . 25.0 112.774 -174.555 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -147.58 142.86 27.29 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 104.105 -2.554 . . . . 25.0 104.105 170.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 12.6 p -128.55 146.65 33.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 107.359 -1.348 . . . . 25.0 107.359 -179.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 56.4 p -149.2 164.14 35.62 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 106.842 -1.54 . . . . 25.0 106.842 178.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 54.4 mt . . . . . 0 C--N 1.322 -0.62 0 N-CA-C 108.421 -0.955 . . . . 25.0 108.421 -176.678 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 . . . . . 0 CA--C 1.506 -0.73 0 N-CA-C 106.684 -1.599 . . . . 25.0 106.684 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 17.2 m -128.77 143.52 50.94 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 108.291 -1.003 . . . . 25.0 108.291 -178.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -127.93 138.47 52.65 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.297 -1.001 . . . . 25.0 108.297 178.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 68.6 mt -119.62 130.27 55.02 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 107.255 -1.387 . . . . 25.0 107.255 -178.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.69 133.49 43.6 Favored 'General case' 0 C--O 1.217 -0.654 0 N-CA-C 110.205 -0.294 . . . . 25.0 110.205 -179.342 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 39.0 t -144.72 155.55 43.62 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 106.789 -1.56 . . . . 25.0 106.789 174.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 88.0 t80 . . . . . 0 C--N 1.319 -0.721 0 N-CA-C 106.415 -1.698 . . . . 25.0 106.415 174.793 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 48.4 m . . . . . 0 CA--C 1.515 -0.384 0 N-CA-C 108.36 -0.978 . . . . 25.0 108.36 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -119.2 109.93 16.43 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 105.828 -1.916 . . . . 25.0 105.828 177.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -136.84 146.62 45.83 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.808 -0.633 . . . . 25.0 109.429 -169.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.6 mp -140.85 167.16 22.83 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 108.453 -0.943 . . . . 25.0 108.453 -177.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -139.15 152.34 47.36 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.836 -0.431 . . . . 25.0 109.836 175.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 64.5 mt -126.82 137.6 53.22 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 106.205 -1.776 . . . . 25.0 106.205 176.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -123.13 148.71 45.41 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.712 -0.477 . . . . 25.0 109.712 176.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 83.01 22.5 57.43 Favored Glycine 0 C--N 1.33 0.245 0 CA-C-O 121.68 0.6 . . . . 25.0 112.559 177.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 35.4 m120 -68.32 141.36 55.84 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.774 0.797 . . . . 25.0 112.35 -176.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -80.08 92.59 5.65 Favored 'General case' 0 C--O 1.217 -0.651 0 N-CA-C 107.304 -1.369 . . . . 25.0 107.304 173.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -60.26 -33.65 72.6 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.987 -0.746 . . . . 25.0 108.987 178.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.89 -27.82 69.07 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.241 -0.891 . . . . 25.0 111.91 178.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 69.8 p -129.02 33.43 4.59 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 112.398 0.518 . . . . 25.0 112.398 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.4 pp -62.75 149.61 43.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.434 0.635 . . . . 25.0 111.199 -175.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 40.4 t -152.43 156.15 38.94 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.719 -0.845 . . . . 25.0 108.719 -176.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -104.37 -2.39 25.53 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 122.577 0.351 . . . . 25.0 111.124 178.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -78.24 12.65 18.42 Favored Glycine 0 N--CA 1.463 0.463 0 N-CA-C 115.2 0.84 . . . . 25.0 115.2 -175.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -70.75 -20.85 62.58 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 113.202 0.816 . . . . 25.0 113.202 -176.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . 0.41 HG13 ' H ' ' A' ' 145' ' ' ILE . 1.0 OUTLIER -70.56 142.48 15.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.391 0.615 . . . . 25.0 111.294 -176.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 9.6 p -58.8 -20.67 17.36 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 CA-C-N 115.4 -0.818 . . . . 25.0 112.66 179.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 . . . . . 0 C--N 1.327 -0.397 0 N-CA-C 112.611 0.597 . . . . 25.0 112.611 -179.373 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 . . . . . 0 N--CA 1.478 0.95 0 N-CA-C 112.553 0.575 . . . . 25.0 112.553 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -99.23 179.91 31.1 Favored Glycine 0 CA--C 1.511 -0.208 0 N-CA-C 115.515 0.966 . . . . 25.0 115.515 -173.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.6 t -123.52 -177.46 3.73 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 104.579 -2.378 . . . . 25.0 104.579 175.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -83.42 3.04 33.62 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 120.72 -1.237 . . . . 25.0 113.251 -177.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -86.09 -170.65 47.21 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 108.886 -1.686 . . . . 25.0 108.886 170.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 43.2 m-20 -82.44 136.37 34.94 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 118.796 1.298 . . . . 25.0 108.654 177.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -129.5 152.08 49.43 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 121.086 0.469 . . . . 50.0 111.703 -178.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 99.3 t -128.53 114.22 32.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 104.498 -2.408 . . . . 25.0 104.498 170.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 67.8 mt -130.79 140.98 50.33 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.473 -0.33 . . . . 25.0 110.576 -174.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 74.1 mt -130.68 129.85 64.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 107.242 -1.392 . . . . 25.0 107.242 179.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -86.44 -176.06 49.63 Favored Glycine 0 C--O 1.227 -0.33 0 CA-C-O 121.762 0.645 . . . . 25.0 113.395 -179.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 79.9 p -114.1 -179.78 3.73 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 123.557 0.743 . . . . 25.0 109.691 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -73.96 -12.58 60.69 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 115.302 1.593 . . . . 25.0 115.302 -175.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.3 m -84.71 168.38 1.7 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.438 0 N-CA-C 109.063 -0.717 . . . . 25.0 109.063 178.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.48 137.88 26.71 Favored Glycine 0 CA--C 1.517 0.193 0 N-CA-C 110.818 -0.913 . . . . 25.0 110.818 177.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -142.8 164.71 29.36 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.385 0.612 . . . . 50.0 112.055 -173.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -126.91 114.57 18.04 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 105.888 -1.893 . . . . 25.0 105.888 173.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 62.4 mt -128.37 123.7 60.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.352 -0.61 . . . . 25.0 109.352 -174.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 92.1 p -113.84 139.68 48.95 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.723 -0.473 . . . . 25.0 109.723 176.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -93.62 -25.75 17.25 Favored Glycine 0 C--O 1.227 -0.312 0 C-N-CA 121.337 -0.458 . . . . 25.0 113.868 -178.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.51 -158.55 53.3 Favored Glycine 0 C--O 1.242 0.655 0 CA-C-N 117.804 0.802 . . . . 25.0 112.054 -177.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.09 179.6 3.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 121.92 -0.753 . . . . 25.0 109.776 178.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.71 167.27 38.71 Favored Glycine 0 C--O 1.24 0.498 0 C-N-CA 121.279 -0.486 . . . . 25.0 112.078 -178.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -89.66 113.0 24.41 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 107.272 -1.381 . . . . 25.0 107.272 -179.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -119.43 164.21 16.08 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 113.801 1.038 . . . . 50.0 113.801 -171.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -128.51 114.31 16.6 Favored 'General case' 0 CA--C 1.511 -0.541 0 N-CA-C 105.768 -1.938 . . . . 25.0 105.768 172.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -112.22 139.81 47.45 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 106.154 -1.795 . . . . 25.0 106.154 -178.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -135.25 135.62 41.05 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 104.925 -2.25 . . . . 25.0 104.925 173.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -99.88 -20.92 15.06 Favored Glycine 0 N--CA 1.449 -0.434 0 O-C-N 123.258 0.349 . . . . 25.0 113.292 -176.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 64.6 -158.63 43.3 Favored Glycine 0 C--O 1.246 0.858 0 C-N-CA 120.88 -0.676 . . . . 25.0 111.842 -175.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.39 174.74 7.71 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.681 -0.893 . . . . 25.0 110.135 178.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 83.26 164.64 36.52 Favored Glycine 0 C--O 1.236 0.242 0 N-CA-C 110.927 -0.869 . . . . 25.0 110.927 -178.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -83.22 126.57 32.79 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 107.682 -1.229 . . . . 25.0 107.682 -178.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -131.41 151.67 51.33 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 114.614 1.339 . . . . 50.0 114.614 -171.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.0 mp -110.19 118.61 36.82 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 107.149 -1.426 . . . . 25.0 107.149 174.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.8 mp -123.71 115.9 22.17 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.52 0.676 . . . . 25.0 111.935 -177.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -104.13 115.87 31.19 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.037 -0.529 . . . . 25.0 109.69 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -71.33 -44.3 52.4 Favored Glycine 0 C--O 1.246 0.849 0 C-N-CA 120.712 -0.756 . . . . 25.0 113.727 -176.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.02 178.32 41.42 Favored Glycine 0 CA--C 1.522 0.487 0 C-N-CA 121.329 -0.462 . . . . 25.0 112.625 -178.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.69 154.92 10.78 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.91 -0.759 . . . . 25.0 110.421 179.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 97.13 172.84 34.16 Favored Glycine 0 C--O 1.239 0.434 0 N-CA-C 110.344 -1.102 . . . . 25.0 110.344 -176.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.9 ptp85 -99.33 118.46 36.03 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 107.576 -1.268 . . . . 25.0 107.576 -178.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -122.07 167.48 13.09 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 113.392 0.886 . . . . 50.0 113.392 -166.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -127.01 132.01 50.87 Favored 'General case' 0 CA--C 1.509 -0.631 0 N-CA-C 104.199 -2.519 . . . . 25.0 104.199 176.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.9 mp -131.64 99.13 4.69 Favored 'General case' 0 C--N 1.321 -0.653 0 O-C-N 123.658 0.599 . . . . 25.0 110.479 -175.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 28.7 m -87.97 115.91 25.77 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 107.84 -1.17 . . . . 25.0 107.84 178.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -83.05 -42.19 8.21 Favored Glycine 0 C--O 1.238 0.385 0 C-N-CA 119.861 -1.161 . . . . 25.0 111.001 -179.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.54 -163.89 53.01 Favored Glycine 0 C--O 1.242 0.617 0 N-CA-C 111.404 -0.678 . . . . 25.0 111.404 -179.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.9 mt -62.43 154.54 28.0 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 121.058 0.456 . . . . 25.0 110.869 178.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 94.58 164.53 35.76 Favored Glycine 0 C--O 1.245 0.816 0 N-CA-C 110.553 -1.019 . . . . 25.0 110.553 -178.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.38 122.57 28.65 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 106.017 -1.846 . . . . 25.0 106.017 178.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -121.18 152.05 39.23 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 109.523 -0.547 . . . . 50.0 109.523 -175.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.1 t -123.18 138.73 54.58 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.106 -1.072 . . . . 25.0 108.106 174.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -119.29 129.01 54.68 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 107.848 -1.168 . . . . 25.0 107.848 -176.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 53.7 ttt85 -131.29 141.88 50.04 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 115.613 1.708 . . . . 25.0 115.613 -169.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 48.0 p90 -73.51 162.43 29.27 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 114.648 -1.16 . . . . 25.0 111.699 174.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -128.02 -5.14 5.61 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 116.386 -0.37 . . . . 25.0 110.833 166.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 21.5 tp -157.22 167.02 31.58 Favored 'General case' 0 C--O 1.22 -0.466 0 N-CA-C 107.885 -1.154 . . . . 25.0 107.885 -176.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 36.3 ptt180 -78.66 -23.34 45.78 Favored 'General case' 0 C--O 1.206 -1.204 0 CA-C-N 119.083 0.856 . . . . 25.0 110.404 173.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -97.95 17.09 19.05 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 123.086 1.422 . . . . 25.0 109.302 -176.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -63.11 -34.98 78.78 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 113.32 -1.764 . . . . 25.0 110.841 176.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.0 t -145.7 100.33 3.41 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 105.714 -1.958 . . . . 25.0 105.714 175.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 25.3 t-80 -155.56 114.7 3.57 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.367 -0.975 . . . . 25.0 108.367 -168.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.8 mtm180 -104.02 125.25 50.24 Favored 'General case' 0 C--O 1.217 -0.622 0 CA-C-O 121.004 0.43 . . . . 25.0 109.964 -176.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 60.3 p -149.26 160.64 34.26 Favored Pre-proline 0 C--N 1.326 -0.441 0 N-CA-C 108.064 -1.087 . . . . 25.0 108.064 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -71.53 -15.96 30.65 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 117.13 -1.447 . . . . 25.0 113.048 178.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 75.3 mt -82.22 -7.52 59.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.463 0.649 . . . . 25.0 110.374 179.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 159.69 106.39 0.22 Allowed Glycine 0 N--CA 1.449 -0.461 0 N-CA-C 108.985 -1.646 . . . . 25.0 108.985 -177.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.6 t -97.32 118.11 33.05 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.636 0.732 . . . . 25.0 110.828 -177.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -125.55 137.61 53.93 Favored 'General case' 0 C--O 1.216 -0.704 0 N-CA-C 105.76 -1.941 . . . . 25.0 105.76 177.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 45.0 t -153.86 147.61 25.32 Favored 'General case' 0 CA--C 1.492 -1.286 0 N-CA-C 104.214 -2.513 . . . . 25.0 104.214 178.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -104.29 150.51 24.38 Favored 'General case' 0 C--N 1.312 -1.026 0 N-CA-C 107.848 -1.167 . . . . 50.0 107.848 176.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.72 132.66 55.18 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 106.193 -1.78 . . . . 25.0 106.193 178.384 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 38.9 mt -107.92 142.25 21.09 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.718 0 N-CA-C 103.368 -2.827 . . . . 25.0 103.368 175.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -124.12 149.93 45.67 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 106.836 -1.542 . . . . 25.0 106.836 -175.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 53.54 47.78 23.2 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 122.354 1.073 . . . . 25.0 108.88 -178.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -80.18 130.04 34.93 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.303 -1.317 . . . . 25.0 110.957 -176.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -105.69 91.07 4.72 Favored Pre-proline 0 C--N 1.324 -0.511 0 N-CA-C 108.709 -0.848 . . . . 25.0 108.709 177.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -66.66 -2.02 6.81 Favored 'Trans proline' 0 CA--C 1.534 0.52 0 N-CA-C 115.221 1.2 . . . . 25.0 115.221 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.9 t -99.38 -4.39 31.7 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 112.085 0.402 . . . . 25.0 112.085 176.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 60.8 mm-40 -139.87 -34.07 0.57 Allowed 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 114.341 1.237 . . . . 25.0 114.341 -173.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -82.47 175.21 10.39 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.314 0.578 . . . . 50.0 111.572 -171.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 39.4 tptt -144.45 146.13 32.28 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 122.153 -0.342 . . . . 25.0 110.262 -179.045 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 41.8 mt -127.09 121.19 57.29 Favored 'Isoleucine or valine' 0 C--O 1.243 0.727 0 CA-C-O 121.517 0.675 . . . . 25.0 110.31 178.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.34 122.52 30.42 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.082 -1.081 . . . . 25.0 108.082 176.011 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 26.9 m -131.67 16.95 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 CA-C-O 121.062 0.458 . . . . 25.0 112.233 -177.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.2 t -55.18 -38.73 68.72 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 114.65 1.352 . . . . 25.0 114.65 -173.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.15 -22.94 62.94 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 112.855 0.687 . . . . 25.0 112.855 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 23.4 mt -81.48 -59.26 2.68 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 106.364 -1.717 . . . . 25.0 106.364 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.602 0 CA-C-N 114.463 -1.244 . . . . 25.0 111.902 -178.461 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 . . . . . 0 N--CA 1.476 0.846 0 N-CA-C 112.049 0.389 . . . . 25.0 112.049 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 75.71 -1.07 59.55 Favored Glycine 0 N--CA 1.46 0.286 0 N-CA-C 117.297 1.679 . . . . 25.0 117.297 178.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.43 ' HA ' ' HB3' ' A' ' 119' ' ' TYR . 96.3 m-85 -136.77 160.13 39.78 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 117.634 0.717 . . . . 25.0 110.597 -178.009 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 52.98 49.13 20.87 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 113.007 0.744 . . . . 25.0 113.007 176.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 83.71 -0.98 89.35 Favored Glycine 0 N--CA 1.453 -0.202 0 N-CA-C 114.791 0.676 . . . . 25.0 114.791 176.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 34.6 p -100.23 159.0 15.46 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 107.467 -1.309 . . . . 25.0 107.467 179.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 74.9 mt -99.43 164.43 12.1 Favored 'General case' 0 C--O 1.215 -0.76 0 N-CA-C 113.375 0.88 . . . . 25.0 113.375 -171.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -132.37 121.28 23.24 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 105.384 -2.08 . . . . 25.0 105.384 169.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 7.3 p -109.6 142.33 22.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 N-CA-C 106.621 -1.622 . . . . 25.0 106.621 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 47.8 p -139.73 155.87 47.1 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 107.139 -1.43 . . . . 25.0 107.139 178.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 61.9 mt . . . . . 0 C--N 1.323 -0.572 0 N-CA-C 108.987 -0.745 . . . . 25.0 108.987 -174.846 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 56.2 mtt-85 . . . . . 0 CA--C 1.51 -0.581 0 N-CA-C 106.349 -1.722 . . . . 25.0 106.349 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 13.6 m -137.07 142.66 42.38 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.11 -1.07 . . . . 25.0 108.11 -177.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -131.74 140.37 49.24 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.168 -1.049 . . . . 25.0 108.168 178.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 83.9 mt -120.0 127.74 52.89 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.622 -0.881 . . . . 25.0 108.622 -178.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 4.2 tmtt? -124.07 147.9 47.51 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 106.451 -1.685 . . . . 25.0 106.451 -178.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 17.3 t -143.44 163.06 34.15 Favored 'General case' 0 C--O 1.241 0.623 0 N-CA-C 105.84 -1.911 . . . . 25.0 105.84 173.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . 0.43 ' HB3' ' HA ' ' A' ' 99' ' ' TYR . 88.9 t80 . . . . . 0 C--N 1.318 -0.777 0 N-CA-C 106.304 -1.739 . . . . 25.0 106.304 173.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 42.4 m . . . . . 0 C--O 1.235 0.323 0 N-CA-C 109.141 -0.689 . . . . 25.0 109.141 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -116.87 133.67 55.72 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.353 0.597 . . . . 25.0 110.98 -174.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -141.75 145.8 35.24 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.654 -0.869 . . . . 25.0 108.654 -171.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.8 mp -142.21 172.6 12.47 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 122.701 0.401 . . . . 25.0 110.836 -173.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -144.29 152.76 41.23 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 109.993 -0.373 . . . . 25.0 109.993 174.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 51.6 mt -132.07 149.01 52.52 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.091 -1.448 . . . . 25.0 107.091 177.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -143.39 158.15 43.87 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.017 -1.105 . . . . 25.0 108.017 174.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 71.48 24.84 76.37 Favored Glycine 0 C--O 1.224 -0.53 0 N-CA-C 109.813 -1.315 . . . . 25.0 109.813 -175.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -75.76 130.77 39.15 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.337 0.495 . . . . 25.0 112.337 -175.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -77.57 88.83 3.89 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.036 -0.727 . . . . 25.0 109.036 172.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -60.54 -30.88 70.03 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.519 -0.764 . . . . 25.0 109.649 177.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -60.25 -26.46 66.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.159 -0.928 . . . . 25.0 110.962 177.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 74.0 p -127.22 31.25 5.27 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 112.704 0.631 . . . . 25.0 112.704 178.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.5 pp -63.3 142.69 58.29 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 120.46 -0.496 . . . . 25.0 110.211 -177.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 46.8 t -156.08 148.76 23.92 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.965 0.412 . . . . 25.0 111.844 -176.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -83.04 -9.17 59.39 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 121.097 0.475 . . . . 25.0 110.462 176.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -65.02 -12.84 56.22 Favored Glycine 0 CA--C 1.519 0.334 0 N-CA-C 114.864 0.706 . . . . 25.0 114.864 -176.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 58.6 m-80 -67.28 -24.4 65.78 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.858 0.361 . . . . 25.0 111.811 179.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 64.7 mt -73.38 136.21 25.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 108.626 -0.879 . . . . 25.0 108.626 -176.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 9.9 p -56.31 -24.55 18.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 N-CA-C 114.34 1.237 . . . . 25.0 114.34 -177.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 . . . . . 0 C--N 1.328 -0.361 0 O-C-N 121.836 -0.54 . . . . 25.0 112.006 -179.643 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 . . . . . 0 N--CA 1.48 1.07 0 N-CA-C 113.488 0.922 . . . . 25.0 113.488 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -97.13 166.03 23.14 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.889 -0.672 . . . . 25.0 113.225 -178.199 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.8 t -107.53 -176.99 3.22 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 104.623 -2.362 . . . . 25.0 104.623 175.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -83.75 1.38 43.08 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 120.808 -1.182 . . . . 25.0 112.488 -179.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -84.1 -172.06 48.54 Favored Glycine 0 C--N 1.318 -0.453 0 N-CA-C 108.593 -1.803 . . . . 25.0 108.593 169.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 56.6 m-20 -82.81 135.46 34.95 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 118.649 1.225 . . . . 25.0 108.703 178.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -128.57 155.77 44.4 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 120.988 0.423 . . . . 50.0 111.977 -178.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 88.6 t -124.99 110.19 24.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 104.995 -2.224 . . . . 25.0 104.995 169.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.5 mt -118.91 130.68 55.86 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.057 -1.09 . . . . 25.0 108.057 -175.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.417 ' HA ' ' HB3' ' A' ' 29' ' ' ASP . 87.3 mt -134.12 128.8 53.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 107.626 -1.25 . . . . 25.0 107.626 -179.645 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -89.84 -172.44 45.12 Favored Glycine 0 C--N 1.329 0.161 0 CA-C-O 121.961 0.756 . . . . 25.0 114.589 -177.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.2 t -118.08 -169.91 1.78 Allowed 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.731 0.813 . . . . 25.0 110.339 -179.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -70.11 -29.04 65.89 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 114.087 1.144 . . . . 25.0 114.087 -176.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.7 m -70.38 162.73 3.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.567 -0.288 . . . . 25.0 110.494 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.26 137.79 25.56 Favored Glycine 0 C--O 1.229 -0.215 0 N-CA-C 109.917 -1.273 . . . . 25.0 109.917 177.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -141.45 162.4 35.57 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 121.371 0.605 . . . . 50.0 112.532 -172.501 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -125.04 118.74 26.86 Favored 'General case' 0 C--N 1.323 -0.543 0 N-CA-C 106.057 -1.831 . . . . 25.0 106.057 175.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 59.7 mt -128.26 126.32 65.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 110.138 -0.319 . . . . 25.0 110.138 -171.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 70.3 p -122.63 132.13 54.14 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 122.278 -0.264 . . . . 25.0 110.402 178.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -92.74 -24.58 22.9 Favored Glycine 0 CA--C 1.518 0.235 0 N-CA-C 115.738 1.055 . . . . 25.0 115.738 -176.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.82 -159.26 53.54 Favored Glycine 0 C--O 1.245 0.824 0 CA-C-N 118.164 0.982 . . . . 25.0 112.152 -178.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.79 179.88 3.44 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 121.645 -0.915 . . . . 25.0 109.605 178.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.0 168.87 40.58 Favored Glycine 0 C--O 1.244 0.739 0 C-N-CA 121.39 -0.433 . . . . 25.0 112.03 -178.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.405 ' HB3' HH12 ' A' ' 45' ' ' ARG . 46.4 m-20 -90.77 112.18 23.86 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 108.266 -1.012 . . . . 25.0 108.266 -178.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -121.08 165.37 15.41 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 114.292 1.219 . . . . 50.0 114.292 -171.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -117.32 135.08 54.1 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 104.803 -2.295 . . . . 25.0 104.803 164.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.5 mp -123.48 143.64 50.04 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 103.038 -2.949 . . . . 25.0 103.038 173.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.417 ' HB3' ' HA ' ' A' ' 11' ' ' ILE . 16.9 t0 -145.07 135.12 23.84 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 106.364 -1.717 . . . . 25.0 106.364 177.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -104.44 -24.17 7.61 Favored Glycine 0 N--CA 1.446 -0.657 0 O-C-N 123.363 0.414 . . . . 25.0 113.411 -175.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 63.04 -150.28 49.01 Favored Glycine 0 CA--C 1.526 0.765 0 C-N-CA 120.396 -0.907 . . . . 25.0 112.206 -175.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.33 170.62 12.75 Favored 'General case' 0 C--O 1.243 0.739 0 O-C-N 121.771 -0.84 . . . . 25.0 111.086 179.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 81.55 166.91 37.74 Favored Glycine 0 CA--C 1.515 0.089 0 N-CA-C 111.248 -0.741 . . . . 25.0 111.248 -178.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -84.1 130.16 34.87 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 106.206 -1.776 . . . . 25.0 106.206 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -132.89 152.95 51.79 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 112.783 0.66 . . . . 50.0 112.783 -173.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.5 mp -114.99 119.89 38.02 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.139 -1.06 . . . . 25.0 108.139 176.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.6 mp -121.61 131.57 54.19 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 111.646 0.239 . . . . 25.0 111.646 -176.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -121.79 110.62 16.13 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.13 0.572 . . . . 25.0 109.462 177.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -70.22 -36.98 71.5 Favored Glycine 0 C--O 1.244 0.729 0 C-N-CA 120.644 -0.789 . . . . 25.0 114.506 -175.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.97 -177.8 44.47 Favored Glycine 0 CA--C 1.523 0.586 0 CA-C-N 117.009 0.404 . . . . 25.0 112.58 -177.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.19 157.2 10.91 Favored 'General case' 0 CA--C 1.546 0.814 0 O-C-N 121.722 -0.869 . . . . 25.0 110.642 178.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.11 172.42 44.76 Favored Glycine 0 C--O 1.241 0.556 0 N-CA-C 109.989 -1.244 . . . . 25.0 109.989 -176.2 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.6 ptp85 -91.65 135.57 33.78 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 106.944 -1.502 . . . . 25.0 106.944 179.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -135.68 167.2 21.57 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.0 0.429 . . . . 50.0 112.145 -172.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.405 HH12 ' HB3' ' A' ' 25' ' ' ASP . 0.3 OUTLIER -125.26 108.99 12.28 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 105.707 -1.96 . . . . 25.0 105.707 178.73 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.5 mp -106.29 95.75 5.99 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 109.377 -0.601 . . . . 25.0 109.377 -173.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.413 ' HB ' ' HA ' ' A' ' 29' ' ' ASP . 18.1 m -88.07 114.45 24.7 Favored 'General case' 0 C--N 1.32 -0.681 0 O-C-N 121.95 -0.469 . . . . 25.0 110.182 -177.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -86.58 -41.71 6.76 Favored Glycine 0 CA--C 1.509 -0.313 0 C-N-CA 120.1 -1.047 . . . . 25.0 112.552 -178.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.07 -161.06 54.14 Favored Glycine 0 C--O 1.239 0.432 0 N-CA-C 111.127 -0.789 . . . . 25.0 111.127 -179.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.6 mt -62.67 155.97 24.84 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.327 0.584 . . . . 25.0 111.169 178.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.19 166.35 32.68 Favored Glycine 0 C--O 1.245 0.834 0 CA-C-N 115.087 -0.96 . . . . 25.0 112.197 -179.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -86.54 106.81 17.79 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 106.537 -1.653 . . . . 25.0 106.537 178.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -109.34 153.55 23.76 Favored 'General case' 0 C--N 1.313 -1.008 0 N-CA-C 109.478 -0.564 . . . . 50.0 109.478 -173.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.0 t -124.64 142.31 51.46 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.818 0.818 . . . . 25.0 109.244 172.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -118.78 120.9 38.75 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.799 -1.091 . . . . 25.0 108.257 -176.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -113.05 134.93 54.3 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.127 0.489 . . . . 25.0 111.468 -171.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -89.06 151.64 22.13 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.63 -0.878 . . . . 25.0 108.63 176.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -103.69 -48.21 4.01 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 112.946 0.721 . . . . 25.0 112.946 179.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.4 mp -132.57 165.95 23.21 Favored 'General case' 0 C--O 1.21 -1.023 0 N-CA-C 107.773 -1.195 . . . . 25.0 107.773 -176.163 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 38.1 ptt180 -63.64 -23.0 67.2 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 121.05 -1.031 . . . . 25.0 111.178 175.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -86.48 9.26 18.8 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.892 -0.594 . . . . 25.0 112.239 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -65.93 -30.85 71.5 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.392 -0.367 . . . . 25.0 110.355 177.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 58.9 p -148.05 123.28 10.22 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 109.664 -0.495 . . . . 25.0 109.664 178.322 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -155.52 153.21 29.87 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 108.524 -0.917 . . . . 25.0 108.524 -175.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 25.2 mtm180 -132.67 150.19 52.19 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 119.355 0.979 . . . . 25.0 108.617 175.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 85.1 p -152.9 168.0 12.28 Favored Pre-proline 0 C--N 1.321 -0.635 0 N-CA-C 108.706 -0.85 . . . . 25.0 108.706 -172.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -70.61 -11.53 29.88 Favored 'Trans proline' 0 C--N 1.352 0.75 0 C-N-CA 116.764 -1.691 . . . . 25.0 112.988 175.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 69.2 mt -81.11 -6.2 58.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.847 0.356 . . . . 25.0 110.392 177.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 136.73 170.6 11.98 Favored Glycine 0 C--O 1.24 0.507 0 N-CA-C 111.639 -0.584 . . . . 25.0 111.639 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.3 t -91.55 140.42 29.76 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.184 -0.673 . . . . 25.0 109.184 177.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -130.92 20.84 4.96 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 106.367 -1.716 . . . . 25.0 106.367 177.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 86.3 p -82.11 151.62 26.91 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 108.641 -0.874 . . . . 25.0 108.641 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -83.53 160.66 21.43 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.225 -0.657 . . . . 50.0 109.225 177.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.3 mp -119.81 128.67 53.92 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 104.438 -2.43 . . . . 25.0 104.438 170.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 52.5 mt -96.98 139.5 19.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 101.903 -3.369 . . . . 25.0 101.903 172.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -115.19 143.61 44.97 Favored 'General case' 0 C--N 1.311 -1.066 0 N-CA-C 108.709 -0.849 . . . . 25.0 108.709 -173.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 57.43 45.6 19.51 Favored 'General case' 0 C--O 1.243 0.752 0 O-C-N 124.59 1.181 . . . . 25.0 108.995 178.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -80.39 124.9 29.28 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.898 -1.047 . . . . 25.0 110.228 -178.128 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -101.01 98.07 8.02 Favored Pre-proline 0 C--N 1.317 -0.812 0 CA-C-N 114.961 -1.018 . . . . 25.0 108.817 178.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -64.58 -12.43 33.56 Favored 'Trans proline' 0 CA--C 1.536 0.612 0 N-CA-C 114.429 0.896 . . . . 25.0 114.429 179.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 48.3 t -85.22 -11.45 54.89 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 112.673 0.619 . . . . 25.0 112.673 176.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 90.6 mm-40 -134.94 -36.99 0.81 Allowed 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 114.451 1.278 . . . . 25.0 114.451 -172.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -87.77 161.83 17.36 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 113.315 0.858 . . . . 50.0 113.315 -169.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.5 tptt -131.39 154.42 48.65 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.227 -0.442 . . . . 25.0 111.901 -177.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 68.1 mt -127.62 115.52 40.08 Favored 'Isoleucine or valine' 0 C--O 1.241 0.618 0 CA-C-O 121.084 0.469 . . . . 25.0 110.268 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -95.48 108.37 20.59 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 123.316 0.646 . . . . 25.0 110.439 177.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.7 m -135.9 159.69 39.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 108.189 -1.041 . . . . 25.0 108.189 178.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 41.3 t -156.91 -62.59 0.1 Allowed 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 114.336 1.236 . . . . 25.0 114.336 178.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.88 14.23 0.3 Allowed 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 116.08 1.882 . . . . 25.0 116.08 -170.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 18.7 mt -83.55 -31.85 26.17 Favored 'General case' 0 C--O 1.216 -0.659 0 N-CA-C 106.466 -1.679 . . . . 25.0 106.466 176.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.447 0 N-CA-C 117.952 1.941 . . . . 25.0 117.952 171.316 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 . . . . . 0 N--CA 1.469 0.503 0 CA-C-O 120.678 0.275 . . . . 25.0 110.427 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 83.48 -0.84 89.45 Favored Glycine 0 N--CA 1.46 0.26 0 N-CA-C 115.941 1.136 . . . . 25.0 115.941 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.417 ' HA ' ' HB3' ' A' ' 119' ' ' TYR . 93.7 m-85 -142.67 156.01 44.99 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.632 -0.877 . . . . 25.0 108.632 -178.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 58.3 51.06 8.77 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 113.841 1.052 . . . . 25.0 113.841 177.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 77.68 16.54 80.01 Favored Glycine 0 CA--C 1.508 -0.394 0 C-N-CA 120.841 -0.695 . . . . 25.0 113.41 173.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 13.3 p -122.45 138.23 54.61 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 106.581 -1.636 . . . . 25.0 106.581 -178.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 36.3 mt -91.17 147.25 23.19 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 116.412 2.005 . . . . 25.0 116.412 -171.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -139.12 156.89 46.82 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 106.627 -1.62 . . . . 25.0 106.627 169.045 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 59.7 t -127.04 135.4 63.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 107.905 -1.146 . . . . 25.0 107.905 -177.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 84.5 p -130.28 157.11 43.41 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 107.123 -1.436 . . . . 25.0 107.123 176.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.6 mp . . . . . 0 C--N 1.323 -0.556 0 N-CA-C 110.041 -0.355 . . . . 25.0 110.041 -175.195 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 . . . . . 0 CA--C 1.501 -0.926 0 N-CA-C 107.227 -1.397 . . . . 25.0 107.227 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 29.4 m -136.2 146.71 47.11 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 107.894 -1.15 . . . . 25.0 107.894 -175.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -133.37 145.72 50.61 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.186 -1.042 . . . . 25.0 108.186 178.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 5.0 mp -123.11 128.63 50.36 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 107.137 -1.431 . . . . 25.0 107.137 -178.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -128.38 134.11 48.76 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.436 -0.347 . . . . 25.0 110.812 -175.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 20.8 t -120.14 -28.46 5.09 Favored 'General case' 0 N--CA 1.468 0.474 0 O-C-N 123.871 0.732 . . . . 25.0 111.747 176.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . 0.417 ' HB3' ' HA ' ' A' ' 99' ' ' TYR . 6.5 t80 . . . . . 0 N--CA 1.47 0.553 0 CA-C-O 122.164 0.983 . . . . 25.0 112.601 -177.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 68.8 p . . . . . 0 C--O 1.244 0.773 0 N-CA-C 116.563 2.06 . . . . 25.0 116.563 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -99.98 125.06 45.95 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 107.822 -1.177 . . . . 25.0 107.822 175.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -143.29 151.06 40.08 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 105.922 -1.881 . . . . 25.0 105.922 -177.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.2 mp -131.23 167.57 18.96 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 120.706 0.289 . . . . 25.0 111.293 -171.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -139.88 155.08 47.39 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.402 -0.592 . . . . 25.0 109.402 178.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.52 ' HB3' HD21 ' A' ' 135' ' ' ASN . 67.5 mt -136.61 155.58 49.72 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 106.197 -1.779 . . . . 25.0 106.197 176.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -145.3 153.38 41.21 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 107.584 -1.265 . . . . 25.0 107.584 -177.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 67.5 42.59 88.61 Favored Glycine 0 C--O 1.226 -0.355 0 N-CA-C 109.995 -1.242 . . . . 25.0 109.995 -177.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . 0.52 HD21 ' HB3' ' A' ' 132' ' ' LEU . 31.2 m120 -90.89 145.0 25.11 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 114.505 1.298 . . . . 25.0 114.505 -173.453 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 68.1 m80 -103.32 77.46 1.52 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.318 -1.31 . . . . 25.0 108.997 175.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -63.88 -25.49 68.18 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.662 -0.699 . . . . 25.0 109.871 178.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -62.14 -25.2 67.61 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 116.131 -0.486 . . . . 25.0 111.207 176.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 80.6 p -119.83 32.04 6.25 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 116.84 -0.164 . . . . 25.0 111.213 178.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.6 pp -56.81 154.93 8.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.785 0.802 . . . . 25.0 113.061 -175.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 42.1 t -149.63 151.99 34.68 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 107.375 -1.342 . . . . 25.0 107.375 179.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -92.04 -15.89 27.22 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.453 0.644 . . . . 25.0 109.988 177.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -85.3 26.13 5.83 Favored Glycine 0 C--O 1.225 -0.468 0 N-CA-C 115.481 0.953 . . . . 25.0 115.481 -174.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -66.06 -33.83 76.68 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.493 0.663 . . . . 25.0 111.297 -178.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -74.57 146.49 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.707 0.765 . . . . 25.0 112.432 -177.033 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 9.1 p -61.51 -19.58 21.08 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 CA-C-N 115.488 -0.778 . . . . 25.0 111.887 179.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 . . . . . 0 C--N 1.329 -0.298 0 O-C-N 122.296 -0.252 . . . . 25.0 111.556 179.261 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 . . . . . 0 N--CA 1.478 0.951 0 N-CA-C 114.226 1.195 . . . . 25.0 114.226 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -89.44 172.76 39.81 Favored Glycine 0 N--CA 1.451 -0.307 0 N-CA-C 110.88 -0.888 . . . . 25.0 110.88 176.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 68.7 p -80.42 -176.02 5.46 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.438 -0.949 . . . . 25.0 108.438 176.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -89.62 9.04 28.37 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 121.324 -0.86 . . . . 25.0 111.124 174.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -90.02 -154.62 29.97 Favored Glycine 0 CA--C 1.518 0.234 0 N-CA-C 109.122 -1.591 . . . . 25.0 109.122 173.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -94.83 125.03 39.21 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 107.773 -1.195 . . . . 25.0 107.773 176.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -130.88 155.16 47.22 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 121.142 0.496 . . . . 50.0 111.8 -175.006 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 84.0 t -124.86 115.3 43.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 106.142 -1.799 . . . . 25.0 106.142 173.052 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.8 mp -120.59 128.32 52.94 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.581 -0.896 . . . . 25.0 108.581 -179.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 37.8 mm -119.59 123.04 70.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 107.86 -1.163 . . . . 25.0 107.86 -178.204 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -83.38 154.47 31.47 Favored Glycine 0 N--CA 1.449 -0.482 0 CA-C-O 121.791 0.661 . . . . 25.0 113.537 -178.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 87.8 p -86.66 -178.72 6.44 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.083 -0.71 . . . . 25.0 109.083 177.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -76.4 -10.52 59.46 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 115.417 1.636 . . . . 25.0 115.417 -176.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.4 m -85.6 167.51 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 N-CA-C 108.779 -0.823 . . . . 25.0 108.779 176.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.97 136.42 24.1 Favored Glycine 0 CA--C 1.515 0.093 0 C-N-CA 120.461 -0.876 . . . . 25.0 111.574 179.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -142.94 163.42 32.84 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 117.405 0.603 . . . . 50.0 112.365 -174.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -118.33 118.27 31.34 Favored 'General case' 0 C--O 1.237 0.429 0 N-CA-C 105.642 -1.984 . . . . 25.0 105.642 171.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 54.7 mt -126.95 123.45 62.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 109.11 -0.7 . . . . 25.0 109.11 -174.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.3 p -116.59 140.88 48.89 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.835 -0.431 . . . . 25.0 109.835 179.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -95.75 -25.68 12.95 Favored Glycine 0 C--N 1.325 -0.077 0 C-N-CA 121.369 -0.443 . . . . 25.0 114.027 -178.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 73.06 -162.02 54.61 Favored Glycine 0 C--O 1.244 0.736 0 N-CA-C 111.395 -0.682 . . . . 25.0 111.395 -177.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.5 175.76 4.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 122.006 -0.703 . . . . 25.0 109.341 177.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.95 172.89 49.13 Favored Glycine 0 C--O 1.246 0.856 0 C-N-CA 121.274 -0.489 . . . . 25.0 113.3 179.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -86.72 112.19 21.42 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.879 -0.786 . . . . 25.0 108.879 -178.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -120.87 165.9 14.54 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 114.101 1.149 . . . . 50.0 114.101 -174.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -123.25 127.0 47.98 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 105.043 -2.206 . . . . 25.0 105.043 167.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -121.35 121.58 37.95 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 106.261 -1.755 . . . . 25.0 106.261 178.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -117.09 138.6 51.51 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 105.146 -2.168 . . . . 25.0 105.146 173.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -93.38 -28.34 11.72 Favored Glycine 0 C--N 1.319 -0.364 0 C-N-CA 121.289 -0.481 . . . . 25.0 112.564 -179.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 72.75 -163.37 54.84 Favored Glycine 0 C--O 1.245 0.814 0 N-CA-C 109.184 -1.566 . . . . 25.0 109.184 -174.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.1 175.82 7.12 Favored 'General case' 0 C--O 1.244 0.813 0 CA-C-N 118.002 0.901 . . . . 25.0 109.53 177.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.78 167.04 36.51 Favored Glycine 0 C--O 1.242 0.607 0 N-CA-C 110.165 -1.174 . . . . 25.0 110.165 -176.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -84.54 134.65 34.41 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 107.026 -1.472 . . . . 25.0 107.026 -179.222 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -136.7 152.98 50.98 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 114.214 1.19 . . . . 50.0 114.214 -171.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.9 mp -108.89 123.83 49.7 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 105.739 -1.949 . . . . 25.0 105.739 174.159 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.0 mp -124.31 107.27 10.98 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.064 0.459 . . . . 25.0 110.664 -177.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -99.84 104.81 16.5 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 108.656 -0.868 . . . . 25.0 108.656 -178.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -63.86 -41.84 98.64 Favored Glycine 0 C--O 1.247 0.938 0 C-N-CA 120.751 -0.738 . . . . 25.0 114.567 -174.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.49 175.94 44.09 Favored Glycine 0 C--O 1.238 0.358 0 N-CA-C 111.644 -0.582 . . . . 25.0 111.644 -178.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.29 154.99 7.34 Favored 'General case' 0 C--O 1.243 0.749 0 O-C-N 122.194 -0.592 . . . . 25.0 111.703 -179.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 87.39 168.57 44.82 Favored Glycine 0 C--O 1.24 0.512 0 N-CA-C 110.533 -1.027 . . . . 25.0 110.533 -176.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.2 ptp85 -82.92 145.18 29.55 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 107.301 -1.37 . . . . 25.0 107.301 179.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -140.7 169.26 17.98 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 120.579 0.228 . . . . 50.0 110.466 -174.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.6 120.69 28.71 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 104.874 -2.269 . . . . 25.0 104.874 177.376 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.6 mp -121.75 98.51 5.99 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.844 0.683 . . . . 25.0 112.844 -171.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -88.04 104.89 17.09 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 122.609 0.364 . . . . 25.0 110.692 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -72.13 -42.44 51.06 Favored Glycine 0 C--O 1.249 1.086 0 C-N-CA 119.817 -1.182 . . . . 25.0 113.265 -177.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.86 -163.01 53.88 Favored Glycine 0 C--O 1.241 0.556 0 N-CA-C 111.526 -0.63 . . . . 25.0 111.526 -178.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 86.5 mt -62.36 155.06 26.2 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-O 121.168 0.508 . . . . 25.0 111.299 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 90.37 168.09 42.31 Favored Glycine 0 C--O 1.246 0.878 0 CA-C-N 115.136 -0.938 . . . . 25.0 110.818 -178.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -84.77 128.03 34.41 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 106.322 -1.733 . . . . 25.0 106.322 177.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -122.84 147.65 46.31 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 109.389 -0.597 . . . . 50.0 109.389 -174.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.6 t -119.76 124.01 45.14 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 107.959 -1.126 . . . . 25.0 107.959 174.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -102.29 129.94 48.85 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 106.541 -1.652 . . . . 25.0 106.541 -177.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -124.66 145.22 49.77 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 116.674 2.101 . . . . 25.0 116.674 -168.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 43.1 p90 -81.52 160.2 23.97 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.052 -1.431 . . . . 25.0 108.29 169.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -125.81 -21.77 4.33 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 109.237 -0.653 . . . . 25.0 109.237 167.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.0 mp -135.97 172.06 13.56 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 107.264 -1.384 . . . . 25.0 107.264 179.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 41.6 ptt180 -78.21 -26.47 47.48 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 108.768 -0.827 . . . . 25.0 108.768 168.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -81.56 7.49 11.97 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 121.409 0.623 . . . . 25.0 111.085 178.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -66.07 -28.65 68.99 Favored 'General case' 0 C--O 1.242 0.695 0 CA-C-N 116.296 -0.411 . . . . 25.0 111.455 -179.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.401 ' HA ' ' HA ' ' A' ' 72' ' ' SER . 39.4 p -144.65 102.17 3.77 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 115.826 -0.624 . . . . 25.0 110.972 179.437 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 19.5 t60 -149.81 151.43 33.53 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.831 -0.803 . . . . 25.0 108.831 -177.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 31.9 mtm180 -132.82 147.67 52.31 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 119.286 0.948 . . . . 25.0 108.542 175.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.8 m -137.58 164.91 38.08 Favored Pre-proline 0 C--N 1.322 -0.598 0 N-CA-C 107.729 -1.212 . . . . 25.0 107.729 -174.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -69.14 -10.57 29.42 Favored 'Trans proline' 0 CA--C 1.536 0.602 0 C-N-CA 115.751 -2.366 . . . . 25.0 112.946 175.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.0 mp -78.45 -9.23 59.22 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 122.4 0.28 . . . . 25.0 110.955 175.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 137.69 173.66 13.03 Favored Glycine 0 N--CA 1.455 -0.087 0 N-CA-C 112.003 -0.439 . . . . 25.0 112.003 -179.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.4 t -83.62 143.98 29.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 122.19 -0.594 . . . . 25.0 109.684 178.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -134.73 23.52 3.64 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 105.07 -2.196 . . . . 25.0 105.07 174.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.401 ' HA ' ' HA ' ' A' ' 63' ' ' SER . 18.0 t -113.01 158.88 19.73 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-N 115.063 -0.971 . . . . 25.0 110.717 -175.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -86.23 155.25 20.78 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 114.867 -1.061 . . . . 50.0 112.418 -173.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 9.0 mp -117.16 121.91 42.6 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 104.28 -2.489 . . . . 25.0 104.28 173.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 31.5 mt -91.78 143.76 10.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 N-CA-C 102.777 -3.046 . . . . 25.0 102.777 176.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 60.0 mt -123.15 145.13 48.86 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 108.13 -1.063 . . . . 25.0 108.13 -173.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 53.07 44.99 29.66 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 122.129 0.966 . . . . 25.0 109.045 179.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -76.52 130.33 37.76 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.899 -1.046 . . . . 25.0 110.208 -177.191 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -102.47 94.05 4.62 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 115.72 -0.673 . . . . 25.0 109.594 177.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -69.67 4.79 1.95 Allowed 'Trans proline' 0 CA--C 1.537 0.653 0 N-CA-C 114.181 0.8 . . . . 25.0 114.181 176.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 20.2 t -95.08 -13.62 24.98 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 122.506 0.322 . . . . 25.0 110.711 174.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -141.03 -34.55 0.5 Allowed 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 115.929 1.826 . . . . 25.0 115.929 -173.114 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -84.97 156.76 21.03 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.589 0.589 . . . . 50.0 112.589 -169.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 39.5 tptt -123.56 149.73 44.9 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.23 0.612 . . . . 25.0 109.7 -176.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 25.8 mt -126.52 116.94 46.86 Favored 'Isoleucine or valine' 0 C--O 1.243 0.729 0 CA-C-O 121.042 0.449 . . . . 25.0 109.929 176.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -82.68 121.49 26.92 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 107.36 -1.348 . . . . 25.0 107.36 176.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 18.1 m -135.53 27.64 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 CA-C-O 121.865 0.841 . . . . 25.0 110.038 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.99 -25.61 67.73 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 114.855 1.428 . . . . 25.0 114.855 -174.323 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -75.36 -13.44 60.41 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 112.246 0.461 . . . . 25.0 112.246 177.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.7 mt -98.59 -36.6 9.84 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 106.924 -1.51 . . . . 25.0 106.924 -178.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.346 0 N-CA-C 117.301 1.68 . . . . 25.0 117.301 168.436 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 10.0 m120 . . . . . 0 N--CA 1.471 0.589 0 N-CA-C 114.31 1.226 . . . . 25.0 114.31 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.427 ' HA3' ' HB2' ' A' ' 104' ' ' ALA . . . 76.09 16.3 80.79 Favored Glycine 0 C--O 1.225 -0.41 0 N-CA-C 118.645 2.218 . . . . 25.0 118.645 175.228 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -147.38 160.42 42.56 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 118.467 1.133 . . . . 25.0 109.225 178.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 51.01 50.98 18.01 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 114.028 1.122 . . . . 25.0 114.028 173.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 79.93 17.62 74.37 Favored Glycine 0 N--CA 1.453 -0.186 0 C-N-CA 120.422 -0.894 . . . . 25.0 113.92 177.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 54.5 p -121.14 143.69 48.97 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 106.882 -1.525 . . . . 25.0 106.882 175.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 89.8 mt -85.58 161.62 19.22 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.267 0.556 . . . . 25.0 112.353 -176.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.427 ' HB2' ' HA3' ' A' ' 98' ' ' GLY . . . -131.73 157.31 44.13 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 101.71 -3.441 . . . . 25.0 101.71 166.048 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 11.5 p -124.46 151.08 29.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.172 -0.677 . . . . 25.0 109.172 -176.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 64.9 p -146.72 162.7 37.97 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 106.734 -1.58 . . . . 25.0 106.734 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 88.8 mt . . . . . 0 C--N 1.324 -0.512 0 N-CA-C 109.682 -0.488 . . . . 25.0 109.682 -178.024 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 4.6 mtp180 . . . . . 0 CA--C 1.511 -0.539 0 N-CA-C 108.849 -0.797 . . . . 25.0 108.849 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 28.1 m -135.28 138.14 43.2 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.711 -0.477 . . . . 25.0 109.711 -174.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -131.47 142.62 50.02 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.802 -0.814 . . . . 25.0 108.802 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.9 mp -127.24 146.55 50.38 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.604 -0.517 . . . . 25.0 109.604 -175.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 19.8 tttp -140.94 129.12 22.17 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 112.233 0.457 . . . . 25.0 112.233 -177.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 32.7 t -93.99 -14.49 25.85 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-O 121.565 0.697 . . . . 25.0 111.991 177.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.479 0.989 0 C-N-CA 125.53 1.532 . . . . 25.0 114.864 178.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 14.8 m . . . . . 0 C--O 1.238 0.491 0 N-CA-C 114.618 1.34 . . . . 25.0 114.618 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -76.28 129.46 36.69 Favored 'General case' 0 C--O 1.242 0.696 0 N-CA-C 104.474 -2.417 . . . . 25.0 104.474 166.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -144.09 150.58 38.37 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 107.409 -1.33 . . . . 25.0 107.409 -175.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.9 mp -135.39 162.43 32.64 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 109.594 -0.521 . . . . 25.0 109.594 -177.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -138.2 144.62 40.76 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 121.119 0.485 . . . . 25.0 111.731 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 65.5 mt -130.74 133.21 45.83 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.529 -1.285 . . . . 25.0 107.529 176.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -120.99 143.53 48.98 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 106.682 -1.599 . . . . 25.0 106.682 173.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 73.47 29.28 64.12 Favored Glycine 0 C--O 1.225 -0.464 0 N-CA-C 109.995 -1.242 . . . . 25.0 109.995 -178.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -79.03 124.74 28.56 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.55 -0.537 . . . . 25.0 109.55 -178.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 77.7 m80 -76.15 84.42 2.99 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.326 0.584 . . . . 25.0 110.241 177.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -60.87 -27.46 68.14 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.116 -0.698 . . . . 25.0 109.116 175.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -60.81 -27.47 68.06 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 115.739 -0.664 . . . . 25.0 111.38 176.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 76.5 p -125.35 34.45 4.94 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 111.598 0.222 . . . . 25.0 111.598 178.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.0 pp -62.48 150.03 41.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.645 0.736 . . . . 25.0 112.844 -175.256 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 29.3 t -155.5 147.14 23.06 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.396 -1.335 . . . . 25.0 107.396 175.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -99.34 -7.96 25.54 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.241 0.543 . . . . 25.0 110.722 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -74.18 -6.35 74.27 Favored Glycine 0 N--CA 1.46 0.26 0 C-N-CA 121.182 -0.533 . . . . 25.0 113.171 -178.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -76.46 -13.74 60.09 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.55 0.69 . . . . 25.0 111.881 -179.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 62.9 mt -80.97 144.28 10.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 N-CA-C 104.695 -2.335 . . . . 25.0 104.695 179.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 6.0 p -51.16 -27.3 5.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 N-CA-C 115.311 1.597 . . . . 25.0 115.311 -173.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 . . . . . 0 C--N 1.327 -0.387 0 N-CA-C 113.21 0.818 . . . . 25.0 113.21 -178.309 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.895 0 CA-C-O 120.714 0.292 . . . . 25.0 110.929 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -97.62 -166.14 32.06 Favored Glycine 0 C--O 1.227 -0.287 0 CA-C-O 121.749 0.638 . . . . 25.0 114.276 -175.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.433 HG23 ' H ' ' A' ' 6' ' ' GLY . 6.8 t -125.01 -173.91 2.92 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 104.889 -2.263 . . . . 25.0 104.889 176.461 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -84.85 4.07 34.95 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 120.895 -1.128 . . . . 25.0 113.367 -176.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.433 ' H ' HG23 ' A' ' 4' ' ' THR . . . -85.24 -169.97 46.6 Favored Glycine 0 C--N 1.321 -0.284 0 N-CA-C 109.138 -1.585 . . . . 25.0 109.138 171.128 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 64.0 m-20 -86.42 130.42 34.51 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 118.69 1.245 . . . . 25.0 108.078 177.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -127.53 156.45 42.19 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 112.838 0.681 . . . . 50.0 112.838 -175.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 97.7 t -124.82 116.72 48.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 104.214 -2.513 . . . . 25.0 104.214 168.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 45.9 mt -122.13 134.9 54.74 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.673 -0.862 . . . . 25.0 108.673 -173.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 73.9 mt -130.74 124.96 57.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 107.611 -1.255 . . . . 25.0 107.611 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -85.75 157.03 30.75 Favored Glycine 0 N--CA 1.45 -0.433 0 CA-C-O 121.599 0.555 . . . . 25.0 113.395 -178.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 89.0 p -83.85 -178.87 7.13 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 123.391 0.677 . . . . 25.0 109.79 177.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -73.26 -14.79 61.39 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 115.367 1.618 . . . . 25.0 115.367 -176.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.0 m -84.31 168.03 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 109.182 -0.673 . . . . 25.0 109.182 178.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.49 137.49 26.12 Favored Glycine 0 N--CA 1.453 -0.203 0 N-CA-C 110.813 -0.915 . . . . 25.0 110.813 177.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -143.35 167.24 22.63 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.059 0.457 . . . . 50.0 111.11 -174.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.0 tm0? -121.73 126.17 48.29 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 103.302 -2.851 . . . . 25.0 103.302 170.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 61.7 mt -128.63 121.31 54.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 108.223 -1.029 . . . . 25.0 108.223 -175.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 94.2 p -110.63 138.58 46.83 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.701 -0.852 . . . . 25.0 108.701 177.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -91.03 -25.68 23.85 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.867 -0.682 . . . . 25.0 111.849 178.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 71.65 -159.48 53.82 Favored Glycine 0 C--O 1.247 0.914 0 N-CA-C 110.768 -0.933 . . . . 25.0 110.768 -176.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.5 -179.87 3.71 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.731 -0.84 . . . . 25.0 108.731 176.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.2 169.03 41.2 Favored Glycine 0 C--O 1.242 0.634 0 C-N-CA 121.051 -0.595 . . . . 25.0 111.908 -178.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -92.88 112.94 25.08 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.129 -1.063 . . . . 25.0 108.129 -178.149 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -122.69 167.93 12.84 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 114.485 1.291 . . . . 50.0 114.485 -170.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 66.0 ttt180 -125.67 129.5 49.7 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 105.695 -1.965 . . . . 25.0 105.695 166.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.5 mp -122.08 126.16 47.8 Favored 'General case' 0 C--N 1.319 -0.717 0 N-CA-C 105.881 -1.896 . . . . 25.0 105.881 178.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -119.38 135.64 54.64 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 104.439 -2.43 . . . . 25.0 104.439 173.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -93.34 -25.21 19.6 Favored Glycine 0 C--N 1.32 -0.351 0 C-N-CA 121.466 -0.397 . . . . 25.0 113.386 -176.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 71.23 -160.04 53.98 Favored Glycine 0 C--O 1.246 0.896 0 N-CA-C 110.499 -1.041 . . . . 25.0 110.499 -176.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.21 172.81 10.43 Favored 'General case' 0 C--O 1.243 0.762 0 N-CA-C 109.567 -0.531 . . . . 25.0 109.567 178.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 83.09 165.42 37.7 Favored Glycine 0 C--O 1.241 0.542 0 N-CA-C 110.716 -0.954 . . . . 25.0 110.716 -177.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -84.84 126.62 33.61 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 106.851 -1.537 . . . . 25.0 106.851 -179.224 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -130.94 152.65 50.03 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 113.587 0.958 . . . . 50.0 113.587 -170.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.1 mp -108.25 130.78 55.15 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 106.367 -1.716 . . . . 25.0 106.367 172.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.5 mp -127.44 113.4 16.14 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.203 -0.295 . . . . 25.0 110.203 -176.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -106.45 108.7 20.34 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 122.701 0.4 . . . . 25.0 109.938 -178.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -67.91 -44.8 77.58 Favored Glycine 0 C--O 1.249 1.05 0 C-N-CA 120.684 -0.769 . . . . 25.0 114.827 -174.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.49 -173.51 54.97 Favored Glycine 0 C--O 1.245 0.79 0 O-C-N 122.395 -0.473 . . . . 25.0 112.154 -178.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.05 161.6 12.94 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 122.452 -0.44 . . . . 25.0 109.972 177.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 86.84 174.97 49.32 Favored Glycine 0 N--CA 1.461 0.309 0 N-CA-C 109.523 -1.431 . . . . 25.0 109.523 -176.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.3 ptp180 -100.01 132.37 45.4 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 107.9 -1.148 . . . . 25.0 107.9 179.033 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -132.64 165.98 23.19 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 116.061 -0.518 . . . . 50.0 111.686 -168.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.09 123.97 39.53 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 105.268 -2.123 . . . . 25.0 105.268 177.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.1 mp -119.95 94.59 4.44 Favored 'General case' 0 C--N 1.322 -0.595 0 O-C-N 123.271 0.357 . . . . 25.0 110.249 -173.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.4 m -88.11 110.65 20.82 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.388 -0.597 . . . . 25.0 109.388 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -77.5 -41.28 20.83 Favored Glycine 0 C--O 1.248 1.018 0 C-N-CA 119.578 -1.296 . . . . 25.0 113.313 -176.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.91 -161.39 54.03 Favored Glycine 0 C--O 1.24 0.518 0 N-CA-C 111.342 -0.703 . . . . 25.0 111.342 -177.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.5 mt -62.96 155.08 28.44 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 121.105 0.478 . . . . 25.0 111.256 179.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 92.18 167.96 40.14 Favored Glycine 0 C--O 1.246 0.851 0 CA-C-N 115.195 -0.911 . . . . 25.0 111.034 -178.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -84.57 123.55 30.43 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 106.455 -1.683 . . . . 25.0 106.455 178.137 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -118.77 139.26 51.87 Favored 'General case' 0 C--N 1.319 -0.752 0 O-C-N 122.096 -0.377 . . . . 50.0 110.932 -174.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 29.3 m -108.27 103.93 13.21 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.857 -0.794 . . . . 25.0 108.857 178.183 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -86.81 124.25 32.84 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 104.833 -2.284 . . . . 25.0 104.833 178.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 52.3 ttt-85 -132.12 150.89 52.04 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.685 0.755 . . . . 25.0 112.809 -168.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 53.6 p90 -77.01 158.91 30.3 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.858 -1.064 . . . . 25.0 108.897 172.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -124.04 -41.54 2.21 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 107.505 -1.294 . . . . 25.0 107.505 169.084 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -126.21 170.42 11.86 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 106.702 -1.592 . . . . 25.0 106.702 176.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 39.3 ptt180 -69.87 -14.84 62.93 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-O 122.023 0.916 . . . . 25.0 109.776 171.401 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -81.3 3.07 25.39 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.419 -0.81 . . . . 25.0 111.214 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.81 -33.04 74.79 Favored 'General case' 0 CA--C 1.514 -0.423 0 C-N-CA 120.56 -0.456 . . . . 25.0 111.368 -179.043 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.434 ' HA ' ' HA ' ' A' ' 72' ' ' SER . 18.5 m -151.0 93.08 1.89 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.412 0.625 . . . . 25.0 111.615 175.378 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -143.94 151.75 40.18 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 107.759 -1.2 . . . . 25.0 107.759 -176.003 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 76.1 mtt180 -126.82 147.2 50.04 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 118.706 0.684 . . . . 25.0 111.443 179.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 27.2 t -151.82 154.66 33.19 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 106.394 -1.706 . . . . 25.0 106.394 -175.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_endo -68.8 -14.62 39.39 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 116.201 -2.066 . . . . 25.0 112.561 175.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 81.2 mt -79.07 -7.3 58.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.041 0.448 . . . . 25.0 110.805 177.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 147.0 152.64 5.69 Favored Glycine 0 N--CA 1.449 -0.472 0 N-CA-C 111.353 -0.699 . . . . 25.0 111.353 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.4 t -100.38 143.22 30.83 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.657 -0.868 . . . . 25.0 108.657 179.112 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -124.27 10.4 8.66 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.659 -0.867 . . . . 25.0 108.659 179.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.434 ' HA ' ' HA ' ' A' ' 63' ' ' SER . 83.1 p -67.25 137.22 55.98 Favored 'General case' 0 CA--C 1.508 -0.653 0 N-CA-C 108.894 -0.78 . . . . 25.0 108.894 179.637 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -96.4 157.32 15.95 Favored 'General case' 0 C--N 1.318 -0.772 0 O-C-N 123.487 0.492 . . . . 50.0 110.715 -177.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.3 mp -115.09 124.9 52.75 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 105.427 -2.064 . . . . 25.0 105.427 174.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 67.0 mt -92.28 144.69 8.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 N-CA-C 102.479 -3.156 . . . . 25.0 102.479 173.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -123.52 141.21 52.23 Favored 'General case' 0 C--N 1.314 -0.963 0 O-C-N 124.023 0.827 . . . . 25.0 109.005 -173.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 54.92 50.36 15.74 Favored 'General case' 0 C--O 1.241 0.608 0 O-C-N 124.453 1.096 . . . . 25.0 109.323 177.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -77.89 129.42 35.35 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.473 -1.239 . . . . 25.0 111.553 -176.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -103.48 94.19 5.7 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.747 -0.661 . . . . 25.0 109.414 177.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -64.21 -15.69 50.85 Favored 'Trans proline' 0 CA--C 1.532 0.376 0 N-CA-C 114.518 0.93 . . . . 25.0 114.518 -179.381 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.6 t -81.07 -11.11 59.58 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 112.926 0.713 . . . . 25.0 112.926 177.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 -137.44 -37.55 0.62 Allowed 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 114.247 1.203 . . . . 25.0 114.247 -172.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -84.65 162.42 19.73 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.13 0.49 . . . . 50.0 112.278 -171.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 48.1 tptt -129.92 144.02 51.1 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 123.11 0.564 . . . . 25.0 109.818 -178.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 43.7 mt -123.57 112.97 35.38 Favored 'Isoleucine or valine' 0 C--O 1.242 0.666 0 N-CA-C 109.74 -0.467 . . . . 25.0 109.74 177.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -94.1 123.9 37.77 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 110.019 -0.363 . . . . 25.0 110.019 177.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 28.5 m -127.23 22.08 2.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 CA-C-O 121.331 0.586 . . . . 25.0 112.303 -177.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.7 t -59.49 -28.39 66.98 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 115.151 1.537 . . . . 25.0 115.151 -174.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -76.61 -13.59 60.05 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 112.678 0.621 . . . . 25.0 112.678 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 23.4 mt -87.67 -51.45 5.87 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 105.206 -2.146 . . . . 25.0 105.206 178.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.86 0 CA-C-N 114.252 -1.34 . . . . 25.0 114.056 174.91 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 . . . . . 0 N--CA 1.471 0.604 0 N-CA-C 110.062 -0.347 . . . . 25.0 110.062 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 81.81 -1.62 85.76 Favored Glycine 0 N--CA 1.461 0.306 0 N-CA-C 116.688 1.435 . . . . 25.0 116.688 179.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -140.37 154.87 46.88 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.955 0.378 . . . . 25.0 110.242 -178.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 56.23 50.34 13.61 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 114.203 1.186 . . . . 25.0 114.203 174.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 81.6 21.82 61.22 Favored Glycine 0 CA--C 1.508 -0.385 0 C-N-CA 120.709 -0.757 . . . . 25.0 112.425 173.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 14.6 p -130.96 140.1 50.12 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 105.899 -1.889 . . . . 25.0 105.899 179.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 49.8 mt -89.12 157.59 18.25 Favored 'General case' 0 C--O 1.216 -0.677 0 N-CA-C 115.968 1.84 . . . . 25.0 115.968 -170.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -136.74 154.99 50.43 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 104.641 -2.355 . . . . 25.0 104.641 168.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 9.2 p -128.56 153.21 37.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 108.595 -0.891 . . . . 25.0 108.595 -177.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 40.7 p -148.71 161.91 40.8 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 106.098 -1.816 . . . . 25.0 106.098 177.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 84.2 mt . . . . . 0 C--N 1.326 -0.447 0 N-CA-C 109.703 -0.481 . . . . 25.0 109.703 -176.506 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 87.9 mtt180 . . . . . 0 CA--C 1.514 -0.441 0 N-CA-C 108.417 -0.957 . . . . 25.0 108.417 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 28.0 m -134.18 141.84 47.21 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 108.423 -0.954 . . . . 25.0 108.423 -175.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -130.55 142.89 50.47 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.709 -0.849 . . . . 25.0 108.709 178.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 37.0 mt -126.57 142.45 51.53 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 109.868 -0.419 . . . . 25.0 109.868 -177.293 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 39.1 tttt -142.65 136.17 28.82 Favored 'General case' 0 C--O 1.218 -0.592 0 O-C-N 123.216 0.322 . . . . 25.0 111.119 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 30.5 t -115.11 -27.99 7.12 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 113.81 1.041 . . . . 25.0 113.81 179.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . 0.408 ' HA ' ' HB3' ' A' ' 127' ' ' SER . 6.4 t80 . . . . . 0 N--CA 1.48 1.034 0 CA-C-O 122.792 1.282 . . . . 25.0 111.777 -179.198 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.408 ' HB3' ' HA ' ' A' ' 119' ' ' TYR . 53.0 p . . . . . 0 C--O 1.241 0.655 0 N-CA-C 116.813 2.153 . . . . 25.0 116.813 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -88.72 129.58 35.51 Favored 'General case' 0 C--O 1.241 0.63 0 N-CA-C 104.472 -2.418 . . . . 25.0 104.472 164.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -144.82 145.23 31.54 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 106.179 -1.786 . . . . 25.0 106.179 -176.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.5 mp -131.02 169.76 15.41 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 122.528 0.331 . . . . 25.0 110.459 -174.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -147.03 154.09 40.79 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.841 -0.429 . . . . 25.0 109.841 175.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 56.2 mt -136.61 137.53 40.22 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 106.116 -1.809 . . . . 25.0 106.116 177.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -126.19 148.11 49.51 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 106.736 -1.579 . . . . 25.0 106.736 175.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 75.86 48.55 9.92 Favored Glycine 0 C--O 1.228 -0.249 0 N-CA-C 110.421 -1.071 . . . . 25.0 110.421 -178.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -87.08 126.98 35.11 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.944 0.72 . . . . 25.0 112.944 -175.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 75.2 m80 -82.29 69.63 9.07 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 107.37 -1.344 . . . . 25.0 107.37 167.056 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -61.6 -27.76 68.87 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.567 -0.742 . . . . 25.0 109.935 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.15 -25.62 67.13 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.93 -0.577 . . . . 25.0 111.388 176.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 82.7 p -123.44 29.84 6.49 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 111.814 0.302 . . . . 25.0 111.814 179.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.8 pp -61.17 156.6 17.95 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.383 0.611 . . . . 25.0 112.138 -176.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 44.8 t -149.34 155.09 39.95 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.858 -0.61 . . . . 25.0 109.472 -178.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -95.85 -10.76 28.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.565 0.697 . . . . 25.0 109.426 175.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -76.94 -17.26 80.01 Favored Glycine 0 CA--C 1.516 0.107 0 CA-C-N 115.948 -0.569 . . . . 25.0 114.289 -175.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -79.13 -2.31 40.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 122.327 -0.514 . . . . 25.0 112.113 -178.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 16.1 mt -89.38 152.43 3.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 106.511 -1.663 . . . . 25.0 106.511 178.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 7.4 p -50.12 -29.0 5.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 N-CA-C 115.025 1.491 . . . . 25.0 115.025 -177.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 . . . . . 0 C--N 1.326 -0.428 0 N-CA-C 113.076 0.769 . . . . 25.0 113.076 -176.875 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 . . . . . 0 N--CA 1.479 1.008 0 N-CA-C 113.343 0.868 . . . . 25.0 113.343 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -111.83 -175.62 19.94 Favored Glycine 0 N--CA 1.453 -0.229 0 N-CA-C 111.765 -0.534 . . . . 25.0 111.765 -179.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 13.7 t -133.32 -179.58 5.6 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 106.608 -1.627 . . . . 25.0 106.608 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -77.65 128.24 33.77 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 107.653 -1.24 . . . . 25.0 107.653 177.032 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 128.88 -178.28 17.35 Favored Glycine 0 C--O 1.229 -0.172 0 N-CA-C 105.995 -2.842 . . . . 25.0 105.995 -169.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 27.8 m-20 -88.13 127.44 35.42 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 119.106 1.453 . . . . 25.0 110.246 -177.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -122.67 153.39 39.44 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 121.057 0.456 . . . . 50.0 111.572 -179.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 74.5 t -124.09 112.17 31.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 104.287 -2.486 . . . . 25.0 104.287 169.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.4 mt -121.69 135.41 54.96 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.236 -0.654 . . . . 25.0 109.236 -173.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 68.2 mt -130.69 123.54 54.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 108.022 -1.103 . . . . 25.0 108.022 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -88.26 160.78 30.95 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-O 121.652 0.584 . . . . 25.0 113.696 -178.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 18.6 t -87.28 -179.63 6.45 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 123.297 0.639 . . . . 25.0 110.03 178.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -77.5 -10.98 59.79 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 113.406 0.891 . . . . 25.0 113.406 -178.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 26.8 m -81.87 165.84 2.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 108.811 -0.811 . . . . 25.0 108.811 176.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.53 138.5 26.25 Favored Glycine 0 CA--C 1.518 0.272 0 N-CA-C 110.722 -0.951 . . . . 25.0 110.722 177.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -143.7 167.45 22.24 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.518 0.675 . . . . 50.0 112.308 -173.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -127.11 115.61 19.42 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 105.377 -2.082 . . . . 25.0 105.377 173.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 40.2 mt -129.17 116.77 41.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.372 0.605 . . . . 25.0 110.201 -173.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.6 p -104.83 137.3 42.83 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.138 -0.483 . . . . 25.0 110.001 178.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -91.02 -28.8 14.16 Favored Glycine 0 CA--C 1.519 0.294 0 N-CA-C 114.691 0.636 . . . . 25.0 114.691 -177.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.18 -164.4 54.42 Favored Glycine 0 C--O 1.243 0.7 0 C-N-CA 120.894 -0.67 . . . . 25.0 112.755 -178.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.35 169.1 17.0 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 121.994 -0.709 . . . . 25.0 109.349 177.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.66 166.68 41.15 Favored Glycine 0 C--O 1.24 0.502 0 CA-C-N 116.035 -0.529 . . . . 25.0 112.091 -179.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -83.58 113.08 20.58 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 107.829 -1.175 . . . . 25.0 107.829 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -119.31 163.38 17.24 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.649 0.611 . . . . 50.0 112.649 -173.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.6 ttt85 -130.05 124.37 32.69 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 105.169 -2.16 . . . . 25.0 105.169 169.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.5 mp -123.9 130.41 52.55 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 107.652 -1.24 . . . . 25.0 107.652 -177.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -116.49 137.24 52.33 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 104.751 -2.314 . . . . 25.0 104.751 170.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -96.02 -27.16 10.47 Favored Glycine 0 C--O 1.228 -0.261 0 C-N-CA 121.42 -0.419 . . . . 25.0 112.301 -178.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 73.86 -166.46 54.69 Favored Glycine 0 C--O 1.244 0.737 0 N-CA-C 110.935 -0.866 . . . . 25.0 110.935 -177.042 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.4 176.31 5.44 Favored 'General case' 0 C--O 1.246 0.918 0 O-C-N 122.114 -0.639 . . . . 25.0 109.727 177.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 81.81 164.45 33.61 Favored Glycine 0 C--O 1.239 0.439 0 N-CA-C 110.078 -1.209 . . . . 25.0 110.078 -177.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -81.48 131.72 35.29 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 107.098 -1.445 . . . . 25.0 107.098 -179.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -133.07 150.21 52.11 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 113.908 1.077 . . . . 50.0 113.908 -172.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.6 mp -111.07 126.43 54.81 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 106.724 -1.584 . . . . 25.0 106.724 176.207 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.7 mp -130.22 130.48 44.69 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.144 0.424 . . . . 25.0 112.144 -176.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -112.01 126.36 55.07 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 109.61 -0.515 . . . . 25.0 109.61 177.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -78.89 -52.85 4.78 Favored Glycine 0 C--O 1.249 1.038 0 C-N-CA 120.36 -0.924 . . . . 25.0 114.519 -177.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.92 -178.57 53.73 Favored Glycine 0 C--O 1.247 0.941 0 O-C-N 122.155 -0.615 . . . . 25.0 112.571 -178.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.56 160.73 16.01 Favored 'General case' 0 C--O 1.241 0.613 0 N-CA-C 109.447 -0.575 . . . . 25.0 109.447 177.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 87.21 168.77 45.11 Favored Glycine 0 N--CA 1.462 0.368 0 N-CA-C 109.38 -1.488 . . . . 25.0 109.38 -175.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.2 ptp85 -92.04 133.13 36.01 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 107.474 -1.306 . . . . 25.0 107.474 179.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -129.23 161.94 29.02 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.16 0.505 . . . . 50.0 111.533 -170.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -128.03 121.89 30.87 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 104.174 -2.528 . . . . 25.0 104.174 178.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.4 mp -124.82 99.78 6.31 Favored 'General case' 0 C--N 1.321 -0.631 0 O-C-N 123.366 0.416 . . . . 25.0 111.286 -173.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 16.7 m -87.97 112.56 22.72 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.706 -0.479 . . . . 25.0 109.706 -179.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -77.92 -43.37 14.33 Favored Glycine 0 C--O 1.24 0.521 0 C-N-CA 119.843 -1.17 . . . . 25.0 111.61 -178.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.38 -160.94 53.55 Favored Glycine 0 C--O 1.238 0.378 0 N-CA-C 111.077 -0.809 . . . . 25.0 111.077 -179.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 76.8 mt -62.05 153.84 28.57 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.123 0.487 . . . . 25.0 111.134 178.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 92.4 167.22 39.54 Favored Glycine 0 C--O 1.241 0.569 0 CA-C-N 115.209 -0.905 . . . . 25.0 111.046 -178.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -82.92 128.69 34.68 Favored 'General case' 0 C--O 1.218 -0.564 0 N-CA-C 106.29 -1.745 . . . . 25.0 106.29 177.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -126.14 145.34 50.4 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.874 -0.417 . . . . 50.0 109.874 -175.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.7 t -117.61 129.78 55.97 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 108.708 -0.849 . . . . 25.0 108.708 176.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -111.93 109.64 19.54 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 105.982 -1.859 . . . . 25.0 105.982 -178.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 59.9 ttt180 -112.79 145.82 39.91 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.81 -0.632 . . . . 25.0 111.987 -170.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 26.2 p90 -74.03 144.51 45.06 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 107.736 -1.209 . . . . 25.0 107.736 174.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -103.61 -39.97 6.5 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 106.494 -1.669 . . . . 25.0 106.494 170.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -128.34 161.11 30.2 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 106.698 -1.593 . . . . 25.0 106.698 175.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 7.6 ptt85 -64.45 -22.34 66.93 Favored 'General case' 0 C--O 1.215 -0.727 0 CA-C-O 121.463 0.649 . . . . 25.0 110.364 175.002 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -81.89 1.04 36.96 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.978 -0.556 . . . . 25.0 112.395 -175.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -61.21 -30.92 70.72 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.804 0.668 . . . . 25.0 112.804 -176.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 40.5 p -118.55 22.88 11.83 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 122.257 1.027 . . . . 25.0 112.325 -176.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 46.9 t-80 -89.67 145.64 25.08 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 115.356 -0.838 . . . . 25.0 112.853 -172.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -128.38 157.31 41.38 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 109.295 -0.632 . . . . 25.0 109.295 176.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 75.4 p -149.3 165.69 17.06 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 107.383 -1.34 . . . . 25.0 107.383 -178.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -70.27 -13.74 33.71 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 116.201 -2.066 . . . . 25.0 112.604 175.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 80.1 mt -83.16 -1.79 53.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.152 0.501 . . . . 25.0 110.3 177.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 143.27 151.82 5.55 Favored Glycine 0 N--CA 1.449 -0.49 0 CA-C-O 121.881 0.711 . . . . 25.0 112.959 178.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.94 130.95 34.78 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 107.994 -1.113 . . . . 25.0 107.994 176.386 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -120.66 14.12 11.73 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.887 -0.783 . . . . 25.0 108.887 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 89.7 p -73.63 169.17 17.83 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.079 -0.964 . . . . 25.0 109.069 179.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -111.96 158.3 19.67 Favored 'General case' 0 CA--C 1.51 -0.576 0 N-CA-C 113.032 0.753 . . . . 50.0 113.032 -175.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 9.6 mp -115.01 131.7 56.84 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 105.803 -1.925 . . . . 25.0 105.803 174.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 55.8 mt -104.43 144.32 14.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 N-CA-C 104.216 -2.512 . . . . 25.0 104.216 176.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -124.45 150.39 45.73 Favored 'General case' 0 C--N 1.316 -0.874 0 C-N-CA 123.421 0.688 . . . . 25.0 109.544 -174.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 53.49 50.36 17.52 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-O 122.12 0.962 . . . . 25.0 109.818 178.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -83.98 129.63 34.91 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.671 -1.15 . . . . 25.0 112.131 -175.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -102.33 101.09 17.67 Favored Pre-proline 0 C--N 1.324 -0.502 0 N-CA-C 108.997 -0.742 . . . . 25.0 108.997 177.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -68.22 -7.56 20.36 Favored 'Trans proline' 0 N--CA 1.474 0.336 0 N-CA-C 115.265 1.217 . . . . 25.0 115.265 -177.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 42.1 t -94.43 -9.93 34.05 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 111.965 0.357 . . . . 25.0 111.965 177.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -136.22 -34.56 0.79 Allowed 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 114.795 1.406 . . . . 25.0 114.795 -171.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -83.22 156.96 22.89 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.373 0.606 . . . . 50.0 111.791 -171.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 33.6 tptt -127.76 144.01 51.11 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.98 -0.555 . . . . 25.0 111.423 -175.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 73.4 mt -123.11 113.05 36.23 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 N-CA-C 109.026 -0.731 . . . . 25.0 109.026 178.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -97.66 108.67 21.43 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.622 -0.717 . . . . 25.0 109.716 -179.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.6 m -133.0 32.07 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 CA-C-O 122.178 0.99 . . . . 25.0 110.105 -177.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.23 -21.41 59.51 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 114.874 1.435 . . . . 25.0 114.874 -176.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.67 -20.56 64.45 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 113.515 0.931 . . . . 25.0 113.515 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 11.0 mt -88.96 -41.4 12.41 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.786 0.803 . . . . 25.0 109.067 -176.028 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.534 0 CA-C-N 113.854 -1.521 . . . . 25.0 112.347 178.181 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 . . . . . 0 N--CA 1.469 0.504 0 CA-C-O 120.773 0.321 . . . . 25.0 110.364 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 82.68 -1.24 88.44 Favored Glycine 0 N--CA 1.459 0.224 0 N-CA-C 115.46 0.944 . . . . 25.0 115.46 -178.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -137.38 154.52 49.99 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.677 -0.49 . . . . 25.0 109.677 -179.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 57.3 48.22 15.36 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 114.24 1.2 . . . . 25.0 114.24 175.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 76.83 30.26 56.22 Favored Glycine 0 C--O 1.237 0.291 0 C-N-CA 120.573 -0.823 . . . . 25.0 112.234 173.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 18.5 p -134.19 141.78 47.18 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 105.042 -2.207 . . . . 25.0 105.042 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 31.8 mt -89.41 151.5 22.0 Favored 'General case' 0 C--O 1.215 -0.744 0 N-CA-C 115.947 1.832 . . . . 25.0 115.947 -170.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -133.04 149.26 52.2 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 104.677 -2.342 . . . . 25.0 104.677 166.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 7.2 p -131.41 150.82 34.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 109.465 -0.569 . . . . 25.0 109.465 -175.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 35.7 m -143.0 157.08 44.88 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 105.948 -1.871 . . . . 25.0 105.948 177.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 95.8 mt . . . . . 0 C--N 1.321 -0.632 0 N-CA-C 110.015 -0.365 . . . . 25.0 110.015 -178.41 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 . . . . . 0 CA--C 1.513 -0.459 0 N-CA-C 108.556 -0.905 . . . . 25.0 108.556 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 33.3 m -135.35 141.86 45.65 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.93 -0.767 . . . . 25.0 108.93 -173.19 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -130.33 138.72 50.58 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 107.692 -1.225 . . . . 25.0 107.692 -178.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.6 mp -128.19 144.71 51.14 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.524 0.202 . . . . 25.0 111.189 -176.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 46.1 mmtt -127.44 153.93 45.68 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 106.296 -1.742 . . . . 25.0 106.296 179.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 18.8 t -149.93 -32.14 0.2 Allowed 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 115.166 1.543 . . . . 25.0 115.166 177.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . 0.422 ' HA ' ' HA ' ' A' ' 127' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.477 0.903 0 CA-C-O 122.518 1.152 . . . . 25.0 109.876 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.422 ' HA ' ' HA ' ' A' ' 119' ' ' TYR . 18.9 t . . . . . 0 CA--C 1.516 -0.351 0 CA-C-O 121.343 0.592 . . . . 25.0 110.508 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -140.26 151.65 45.29 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 106.019 -1.845 . . . . 25.0 106.019 178.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -141.18 150.26 42.51 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.554 -0.906 . . . . 25.0 108.554 179.261 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 5.5 mp -128.01 159.73 34.11 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.267 -1.012 . . . . 25.0 108.267 178.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -142.38 149.21 39.08 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.03 -1.1 . . . . 25.0 108.03 177.207 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 36.9 mt -135.11 138.82 44.15 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 105.623 -1.991 . . . . 25.0 105.623 179.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -126.71 150.44 49.04 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 106.275 -1.75 . . . . 25.0 106.275 176.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 73.25 46.41 27.08 Favored Glycine 0 C--O 1.228 -0.227 0 C-N-CA 120.129 -1.034 . . . . 25.0 110.754 -179.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 57.6 m-80 -89.19 135.95 33.28 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 113.982 1.104 . . . . 25.0 113.982 -174.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 70.2 m80 -84.16 64.83 8.46 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 107.3 -1.371 . . . . 25.0 107.3 166.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -62.49 -26.12 68.37 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 115.983 -0.553 . . . . 25.0 110.318 -179.066 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -62.24 -24.65 67.37 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 115.997 -0.547 . . . . 25.0 111.516 176.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 70.4 p -121.77 29.43 7.14 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 120.51 0.195 . . . . 25.0 111.518 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.1 pp -57.94 149.93 21.73 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.674 0.749 . . . . 25.0 112.283 -176.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 30.5 t -154.11 155.03 34.65 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 106.926 -1.509 . . . . 25.0 106.926 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -90.57 2.92 55.36 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 120.834 0.349 . . . . 25.0 111.017 -179.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -63.01 -14.79 54.57 Favored Glycine 0 CA--C 1.521 0.423 0 N-CA-C 115.67 1.028 . . . . 25.0 115.67 -176.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -65.35 -23.23 66.94 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 113.464 0.913 . . . . 25.0 113.464 -178.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 67.0 mt -72.83 125.15 31.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 120.903 0.382 . . . . 25.0 110.889 -170.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 10.8 p -60.7 -27.6 41.1 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 N-CA-C 113.296 0.85 . . . . 25.0 113.296 -178.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 . . . . . 0 C--N 1.325 -0.477 0 N-CA-C 111.596 0.221 . . . . 25.0 111.596 179.389 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.6 pm0 . . . . . 0 CA--C 1.519 -0.216 0 N-CA-C 106.036 -1.838 . . . . 25.0 106.036 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -107.76 -168.6 21.68 Favored Glycine 0 C--O 1.229 -0.187 0 O-C-N 123.448 0.467 . . . . 25.0 113.791 -176.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.443 HG23 ' H ' ' A' ' 6' ' ' GLY . 6.6 t -124.2 -175.27 3.2 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 105.479 -2.045 . . . . 25.0 105.479 177.731 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -81.94 3.26 27.07 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 120.837 -1.164 . . . . 25.0 113.054 -177.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.443 ' H ' HG23 ' A' ' 4' ' ' THR . . . -85.37 -166.53 42.03 Favored Glycine 0 CA--C 1.52 0.402 0 N-CA-C 109.438 -1.465 . . . . 25.0 109.438 171.19 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 61.2 m-20 -86.83 132.93 33.7 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 118.352 1.076 . . . . 25.0 108.499 177.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -128.67 149.14 50.8 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 120.88 0.371 . . . . 50.0 111.79 -178.219 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 97.8 t -125.86 112.6 31.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 104.779 -2.304 . . . . 25.0 104.779 171.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 89.6 mt -121.61 147.97 45.15 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.738 0.304 . . . . 25.0 111.254 -174.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 41.2 mm -125.68 132.37 70.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 106.066 -1.828 . . . . 25.0 106.066 178.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -85.87 177.26 49.53 Favored Glycine 0 C--O 1.227 -0.324 0 C-N-CA 121.027 -0.606 . . . . 25.0 111.954 179.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 72.7 p -117.44 178.56 4.34 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.312 -0.996 . . . . 25.0 108.312 179.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -71.82 -19.9 61.92 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 114.549 1.314 . . . . 25.0 114.549 -175.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.8 m -79.6 166.1 2.64 Favored 'Isoleucine or valine' 0 C--O 1.24 0.592 0 N-CA-C 109.418 -0.586 . . . . 25.0 109.418 178.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.75 138.23 26.87 Favored Glycine 0 N--CA 1.452 -0.26 0 N-CA-C 110.269 -1.133 . . . . 25.0 110.269 177.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -140.44 159.47 42.12 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.409 0.623 . . . . 50.0 112.455 -174.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -118.78 108.57 15.02 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 104.952 -2.24 . . . . 25.0 104.952 172.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 78.7 mt -115.41 124.54 72.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 108.77 -0.826 . . . . 25.0 108.77 -172.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 57.3 p -116.37 133.16 56.33 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.262 0.553 . . . . 25.0 110.315 179.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -91.96 -29.38 11.72 Favored Glycine 0 C--O 1.228 -0.245 0 CA-C-N 115.932 -0.576 . . . . 25.0 112.864 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.48 -157.42 53.49 Favored Glycine 0 C--O 1.243 0.691 0 C-N-CA 120.956 -0.64 . . . . 25.0 111.769 -178.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.52 -179.41 2.99 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 121.788 -0.83 . . . . 25.0 109.351 177.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.77 168.08 36.14 Favored Glycine 0 C--O 1.244 0.751 0 C-N-CA 121.111 -0.566 . . . . 25.0 112.208 -178.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.447 ' HB3' HH12 ' A' ' 45' ' ' ARG . 39.1 m-20 -88.43 114.2 24.8 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.539 -0.911 . . . . 25.0 108.539 -178.526 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -118.88 162.52 18.36 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 113.749 1.018 . . . . 50.0 113.749 -173.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.7 ttp180 -129.23 116.55 19.33 Favored 'General case' 0 CA--C 1.508 -0.642 0 N-CA-C 104.797 -2.298 . . . . 25.0 104.797 169.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 71.5 mt -112.91 147.37 37.2 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 108.446 -0.946 . . . . 25.0 108.446 -176.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -142.7 137.76 30.09 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 104.851 -2.277 . . . . 25.0 104.851 175.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -101.05 -21.86 11.39 Favored Glycine 0 N--CA 1.449 -0.438 0 O-C-N 123.359 0.412 . . . . 25.0 112.23 -178.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 66.16 -156.67 49.94 Favored Glycine 0 C--O 1.242 0.598 0 C-N-CA 120.78 -0.724 . . . . 25.0 111.448 -176.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.96 172.88 10.12 Favored 'General case' 0 C--O 1.241 0.638 0 O-C-N 121.949 -0.736 . . . . 25.0 110.532 178.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.97 166.82 36.52 Favored Glycine 0 C--O 1.234 0.11 0 N-CA-C 110.61 -0.996 . . . . 25.0 110.61 -177.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -84.06 132.9 34.68 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 107.705 -1.22 . . . . 25.0 107.705 -178.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -135.83 154.74 51.09 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 114.458 1.281 . . . . 50.0 114.458 -171.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.4 mp -113.11 129.04 56.64 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 106.521 -1.659 . . . . 25.0 106.521 173.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.1 mp -126.1 106.98 9.97 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.914 0.388 . . . . 25.0 110.992 -178.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -95.13 107.99 20.08 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 108.863 -0.791 . . . . 25.0 108.863 -178.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -67.96 -47.73 58.36 Favored Glycine 0 C--O 1.248 0.984 0 N-CA-C 115.542 0.977 . . . . 25.0 115.542 -174.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.29 -176.84 53.96 Favored Glycine 0 C--O 1.236 0.256 0 O-C-N 122.313 -0.522 . . . . 25.0 113.003 -178.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.12 161.9 12.63 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 122.043 -0.68 . . . . 25.0 110.309 178.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.01 167.74 42.4 Favored Glycine 0 C--O 1.241 0.575 0 N-CA-C 110.483 -1.047 . . . . 25.0 110.483 -177.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.6 ptp85 -88.32 125.78 34.86 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 106.736 -1.579 . . . . 25.0 106.736 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -127.24 162.75 25.47 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 121.147 0.499 . . . . 50.0 111.367 -172.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.447 HH12 ' HB3' ' A' ' 25' ' ' ASP . 1.0 OUTLIER -127.53 123.04 34.9 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 103.891 -2.633 . . . . 25.0 103.891 177.782 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.1 mp -121.76 115.85 23.43 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.694 -0.484 . . . . 25.0 109.694 -172.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.4 m -108.12 117.32 33.84 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.925 -0.769 . . . . 25.0 108.925 -178.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -80.76 -39.0 14.68 Favored Glycine 0 C--O 1.237 0.343 0 C-N-CA 119.608 -1.282 . . . . 25.0 113.885 -176.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.34 -166.26 54.22 Favored Glycine 0 C--O 1.242 0.611 0 N-CA-C 110.652 -0.979 . . . . 25.0 110.652 -176.477 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.6 mt -65.44 156.82 31.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 122.521 -0.399 . . . . 25.0 109.945 177.253 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 93.46 168.97 38.76 Favored Glycine 0 C--O 1.245 0.811 0 N-CA-C 110.804 -0.918 . . . . 25.0 110.804 -178.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.89 125.5 32.06 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 106.779 -1.563 . . . . 25.0 106.779 178.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -125.14 145.96 49.71 Favored 'General case' 0 C--N 1.317 -0.845 0 O-C-N 122.07 -0.394 . . . . 50.0 110.49 -174.477 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.3 t -117.04 132.02 56.79 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.555 -0.906 . . . . 25.0 108.555 173.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -107.68 124.84 50.59 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 105.338 -2.097 . . . . 25.0 105.338 -178.012 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 13.4 ttt180 -127.19 149.06 50.15 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 114.577 1.325 . . . . 25.0 114.577 -163.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -75.93 165.09 25.48 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.243 -1.344 . . . . 25.0 109.245 171.137 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -134.19 -28.44 1.33 Allowed 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 109.393 -0.595 . . . . 25.0 109.393 166.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 39.5 tp -141.93 160.38 40.32 Favored 'General case' 0 C--O 1.218 -0.573 0 N-CA-C 107.215 -1.402 . . . . 25.0 107.215 178.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -64.12 -21.21 66.45 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 121.482 -0.761 . . . . 25.0 112.296 177.461 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -84.05 10.62 9.57 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.157 0.503 . . . . 25.0 111.707 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.64 -40.69 84.15 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 113.84 1.052 . . . . 25.0 113.84 -178.699 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 70.6 m -140.88 98.76 3.46 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.542 -0.91 . . . . 25.0 108.542 -179.014 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 15.7 t-80 -147.49 162.63 38.67 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 107.921 -1.14 . . . . 25.0 107.921 -171.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -135.99 159.04 42.9 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 107.945 -1.131 . . . . 25.0 107.945 171.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 88.6 p -154.73 169.71 9.74 Favored Pre-proline 0 C--N 1.323 -0.575 0 N-CA-C 106.102 -1.814 . . . . 25.0 106.102 -177.193 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -70.59 -7.83 22.22 Favored 'Trans proline' 0 CA--C 1.536 0.622 0 C-N-CA 115.53 -2.514 . . . . 25.0 113.68 177.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.7 mp -80.07 -7.18 58.73 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 109.948 -0.39 . . . . 25.0 109.948 176.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 135.85 174.17 13.28 Favored Glycine 0 N--CA 1.45 -0.395 0 CA-C-O 121.701 0.612 . . . . 25.0 112.047 178.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.1 t -82.66 145.93 29.37 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.922 -0.77 . . . . 25.0 108.922 177.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -132.42 17.06 4.44 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 106.787 -1.56 . . . . 25.0 106.787 174.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 88.4 p -77.01 150.57 35.81 Favored 'General case' 0 CA--C 1.516 -0.346 0 N-CA-C 109.091 -0.707 . . . . 25.0 109.091 -179.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -92.55 162.06 14.35 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 123.35 0.406 . . . . 50.0 111.608 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.1 tp -125.7 131.05 52.65 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.809 -1.182 . . . . 25.0 107.809 178.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 24.5 mt -108.08 141.52 23.11 Favored 'Isoleucine or valine' 0 C--O 1.238 0.478 0 CA-C-O 121.447 0.642 . . . . 25.0 109.318 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -126.85 155.93 42.16 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.078 -1.419 . . . . 25.0 107.459 -177.269 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 55.47 36.0 26.23 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.111 0.964 . . . . 25.0 111.322 176.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.463 ' HB3' ' HB2' ' A' ' 137' ' ' ALA . 47.9 t80 -83.42 123.24 29.49 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.142 -0.936 . . . . 25.0 109.37 178.025 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -100.77 110.25 60.17 Favored Pre-proline 0 C--N 1.318 -0.766 0 N-CA-C 106.664 -1.606 . . . . 25.0 106.664 177.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -68.1 -18.59 45.67 Favored 'Trans proline' 0 C--O 1.222 -0.283 0 N-CA-C 115.868 1.449 . . . . 25.0 115.868 -171.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.3 t -86.49 -11.97 50.23 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.339 0.496 . . . . 25.0 112.339 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 83.7 mm-40 -132.23 -36.19 1.16 Allowed 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 115.101 1.519 . . . . 25.0 115.101 -171.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -84.85 161.21 19.99 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.693 -0.484 . . . . 50.0 109.693 -176.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -141.23 156.99 45.83 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 122.266 -0.272 . . . . 25.0 111.602 -179.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 19.3 mt -123.01 121.31 62.84 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 CA-C-O 120.861 0.362 . . . . 25.0 110.435 178.18 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -95.38 122.28 37.93 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.251 -1.018 . . . . 25.0 108.251 176.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 24.5 m -129.75 26.05 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 CA-C-O 121.409 0.623 . . . . 25.0 112.345 -176.019 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 35.9 t -57.5 -34.79 69.43 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 114.544 1.313 . . . . 25.0 114.544 -175.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.98 -18.45 61.98 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 113.065 0.765 . . . . 25.0 113.065 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 12.8 mt -86.58 -29.89 22.27 Favored 'General case' 0 C--O 1.217 -0.605 0 N-CA-C 105.316 -2.105 . . . . 25.0 105.316 178.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.449 0 CA-C-N 114.097 -1.41 . . . . 25.0 116.232 167.835 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 . . . . . 0 N--CA 1.468 0.46 0 N-CA-C 107.956 -1.127 . . . . 25.0 107.956 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 76.19 7.62 84.73 Favored Glycine 0 C--O 1.223 -0.548 0 N-CA-C 116.549 1.38 . . . . 25.0 116.549 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.435 ' HA ' ' HB3' ' A' ' 119' ' ' TYR . 98.3 m-85 -142.37 154.01 44.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 117.842 0.821 . . . . 25.0 111.662 179.425 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 49.64 57.43 6.53 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 114.568 1.321 . . . . 25.0 114.568 171.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.1 18.21 61.4 Favored Glycine 0 C--O 1.24 0.529 0 C-N-CA 120.147 -1.025 . . . . 25.0 113.042 174.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 16.3 p -132.66 144.88 50.63 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 104.85 -2.278 . . . . 25.0 104.85 177.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 86.8 mt -96.67 156.19 16.45 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 117.453 2.39 . . . . 25.0 117.453 -167.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -132.7 156.17 47.5 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 104.67 -2.344 . . . . 25.0 104.67 169.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 11.0 p -126.36 151.57 32.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 108.782 -0.822 . . . . 25.0 108.782 -178.369 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 61.4 p -152.59 170.07 21.11 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 107.75 -1.204 . . . . 25.0 107.75 -178.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 44.9 mt . . . . . 0 C--N 1.326 -0.438 0 N-CA-C 109.624 -0.51 . . . . 25.0 109.624 -178.073 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 79.6 mtt180 . . . . . 0 CA--C 1.509 -0.608 0 N-CA-C 108.181 -1.044 . . . . 25.0 108.181 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 17.9 m -119.25 144.31 46.83 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 106.216 -1.772 . . . . 25.0 106.216 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -132.43 147.82 52.39 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.133 -0.692 . . . . 25.0 109.133 179.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.6 mp -128.22 145.89 50.9 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 107.864 -1.161 . . . . 25.0 107.864 178.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 38.8 tttt -138.43 138.45 38.19 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.91 -0.404 . . . . 25.0 109.91 179.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.3 t -98.47 -17.22 18.88 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 121.455 0.645 . . . . 25.0 110.862 178.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . 0.435 ' HB3' ' HA ' ' A' ' 99' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.473 0.708 0 CA-C-O 122.57 1.176 . . . . 25.0 113.816 174.599 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 31.1 p . . . . . 0 C--O 1.242 0.665 0 N-CA-C 114.356 1.243 . . . . 25.0 114.356 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -86.4 141.12 29.39 Favored 'General case' 0 C--O 1.244 0.769 0 CA-C-N 115.092 -0.958 . . . . 25.0 109.93 176.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -144.15 145.51 32.16 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 107.456 -1.313 . . . . 25.0 107.456 176.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 1.9 mt -129.84 165.14 22.6 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 123.33 0.652 . . . . 25.0 109.46 -177.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -142.28 150.71 41.21 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.32 0.581 . . . . 25.0 110.102 176.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 55.7 mt -132.9 149.32 52.26 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 103.82 -2.659 . . . . 25.0 103.82 176.09 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.11 179.89 6.31 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 120.001 -0.68 . . . . 25.0 110.197 179.155 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -80.8 56.43 4.78 Favored Glycine 0 C--O 1.224 -0.524 0 CA-C-O 122.288 0.938 . . . . 25.0 112.178 -176.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -109.62 -165.15 0.99 Allowed 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 103.953 -2.61 . . . . 25.0 103.953 179.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -67.36 -3.8 9.21 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 121.572 0.701 . . . . 25.0 110.913 174.346 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.463 ' HB2' ' HB3' ' A' ' 78' ' ' PHE . . . -59.89 -27.21 66.52 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.154 0.582 . . . . 25.0 111.036 172.426 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -68.62 -18.41 64.3 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 111.753 0.279 . . . . 25.0 111.753 -179.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 76.1 p -112.49 35.58 3.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.84 0.352 . . . . 25.0 110.054 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -63.23 150.44 43.07 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.748 0.785 . . . . 25.0 112.625 -179.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 37.9 t -97.85 156.72 16.46 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.115 -1.068 . . . . 25.0 108.115 176.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.0 -17.84 64.54 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.562 0.696 . . . . 25.0 110.328 176.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -73.1 -22.03 79.34 Favored Glycine 0 CA--C 1.522 0.47 0 CA-C-N 115.383 -0.826 . . . . 25.0 114.654 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -90.56 27.92 1.62 Allowed 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 118.387 1.093 . . . . 25.0 111.859 -177.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 8.0 mt -124.86 158.88 32.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 106.596 -1.631 . . . . 25.0 106.596 179.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 2.9 p -57.65 -16.89 6.44 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.759 0 N-CA-C 113.995 1.109 . . . . 25.0 113.995 -177.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 . . . . . 0 N--CA 1.467 0.399 0 N-CA-C 111.963 0.356 . . . . 25.0 111.963 178.975 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.477 0.918 0 N-CA-C 111.862 0.319 . . . . 25.0 111.862 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -93.12 167.58 29.28 Favored Glycine 0 N--CA 1.454 -0.119 0 C-N-CA 121.382 -0.437 . . . . 25.0 113.803 -176.159 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.455 HG23 ' H ' ' A' ' 6' ' ' GLY . 6.6 t -96.91 -175.33 3.24 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 106.407 -1.701 . . . . 25.0 106.407 176.102 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -84.26 4.22 31.86 Favored 'General case' 0 C--N 1.322 -0.606 0 O-C-N 120.963 -1.086 . . . . 25.0 112.809 -178.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.455 ' H ' HG23 ' A' ' 4' ' ' THR . . . -85.28 -166.13 41.37 Favored Glycine 0 C--N 1.319 -0.38 0 N-CA-C 108.951 -1.659 . . . . 25.0 108.951 171.201 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -88.86 130.48 35.39 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.791 -1.188 . . . . 25.0 107.791 177.13 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -124.7 150.25 46.35 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 120.895 0.379 . . . . 50.0 111.616 -177.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 89.2 t -127.62 106.42 15.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 105.417 -2.068 . . . . 25.0 105.417 171.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 93.9 mt -122.73 143.89 49.52 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.43 -0.35 . . . . 25.0 110.69 -176.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.41 ' HA ' ' HB2' ' A' ' 29' ' ' ASP . 81.6 mt -130.79 125.38 58.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 106.883 -1.525 . . . . 25.0 106.883 177.573 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -81.27 158.59 40.14 Favored Glycine 0 N--CA 1.451 -0.361 0 CA-C-O 121.682 0.601 . . . . 25.0 113.369 -178.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 89.1 p -82.36 -179.36 7.39 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 123.319 0.647 . . . . 25.0 110.148 178.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -73.15 -14.35 61.35 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 115.112 1.523 . . . . 25.0 115.112 -176.291 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.7 m -85.39 167.86 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 108.945 -0.761 . . . . 25.0 108.945 178.088 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.85 137.11 25.11 Favored Glycine 0 N--CA 1.454 -0.154 0 C-N-CA 120.426 -0.893 . . . . 25.0 111.301 178.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -142.01 161.52 37.77 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.144 0.497 . . . . 50.0 111.566 -175.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -119.11 117.83 29.77 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 105.341 -2.096 . . . . 25.0 105.341 172.19 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 44.1 mt -126.4 118.11 50.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.374 0.607 . . . . 25.0 109.861 -175.156 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 73.6 p -108.66 141.6 40.38 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.682 -0.858 . . . . 25.0 108.682 177.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -94.68 -23.91 19.61 Favored Glycine 0 C--N 1.323 -0.158 0 N-CA-C 114.542 0.577 . . . . 25.0 114.542 -176.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.65 -159.43 53.2 Favored Glycine 0 C--O 1.246 0.847 0 N-CA-C 111.39 -0.684 . . . . 25.0 111.39 -176.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.42 178.64 3.33 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 122.129 -0.63 . . . . 25.0 109.587 177.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.75 166.84 37.98 Favored Glycine 0 C--O 1.242 0.595 0 C-N-CA 121.111 -0.566 . . . . 25.0 112.08 -178.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -91.73 112.28 24.14 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 107.479 -1.304 . . . . 25.0 107.479 -178.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -117.64 164.39 15.02 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 114.67 1.359 . . . . 50.0 114.67 -170.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 67.1 ttt180 -124.02 124.72 43.18 Favored 'General case' 0 CA--C 1.507 -0.684 0 N-CA-C 104.297 -2.483 . . . . 25.0 104.297 167.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 76.5 mt -125.12 113.05 17.2 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 107.115 -1.439 . . . . 25.0 107.115 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.41 ' HB2' ' HA ' ' A' ' 11' ' ' ILE . 6.7 m-20 -106.32 136.51 45.92 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 105.174 -2.158 . . . . 25.0 105.174 175.352 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -90.19 -27.4 20.91 Favored Glycine 0 C--N 1.322 -0.242 0 N-CA-C 112.174 -0.37 . . . . 25.0 112.174 -178.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 72.84 -159.57 53.67 Favored Glycine 0 C--O 1.243 0.704 0 N-CA-C 110.639 -0.984 . . . . 25.0 110.639 -177.017 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.93 172.39 11.69 Favored 'General case' 0 C--O 1.244 0.778 0 N-CA-C 109.538 -0.541 . . . . 25.0 109.538 178.089 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 82.33 166.73 38.82 Favored Glycine 0 C--O 1.239 0.461 0 N-CA-C 110.067 -1.213 . . . . 25.0 110.067 -176.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -85.4 129.44 34.81 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 107.518 -1.289 . . . . 25.0 107.518 -178.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -131.77 153.95 49.58 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 114.235 1.198 . . . . 50.0 114.235 -171.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.0 mp -113.89 127.71 56.09 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 106.72 -1.585 . . . . 25.0 106.72 175.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.6 mp -127.09 122.21 33.66 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.699 0.285 . . . . 25.0 111.281 -176.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -112.51 113.13 25.15 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 109.873 -0.418 . . . . 25.0 109.873 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.44 -47.8 75.09 Favored Glycine 0 C--O 1.248 1.006 0 N-CA-C 115.594 0.998 . . . . 25.0 115.594 -175.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.14 179.46 51.98 Favored Glycine 0 CA--C 1.519 0.331 0 N-CA-C 111.46 -0.656 . . . . 25.0 111.46 -176.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.71 153.54 16.45 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 122.09 -0.653 . . . . 25.0 109.885 179.345 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.84 169.77 39.96 Favored Glycine 0 C--O 1.242 0.62 0 N-CA-C 111.015 -0.834 . . . . 25.0 111.015 -176.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.5 ptt180 -94.69 127.51 40.72 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 106.425 -1.694 . . . . 25.0 106.425 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -127.6 168.52 14.89 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 116.278 -0.419 . . . . 50.0 111.853 -170.224 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.78 115.3 19.82 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 106.276 -1.75 . . . . 25.0 106.276 176.309 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.7 mp -113.29 101.1 9.09 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.632 -0.507 . . . . 25.0 109.632 -173.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.1 m -94.58 112.57 24.32 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.677 -0.49 . . . . 25.0 109.677 -178.037 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -75.18 -42.4 28.94 Favored Glycine 0 C--O 1.242 0.628 0 C-N-CA 119.44 -1.362 . . . . 25.0 113.482 -176.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.428 ' H ' ' HB2' ' A' ' 77' ' ' ASP . . . 74.48 -163.59 54.45 Favored Glycine 0 C--O 1.243 0.673 0 N-CA-C 111.141 -0.784 . . . . 25.0 111.141 -177.537 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.1 mt -63.85 155.95 28.98 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.907 0.384 . . . . 25.0 110.394 177.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 89.99 168.67 43.07 Favored Glycine 0 C--O 1.242 0.648 0 N-CA-C 110.973 -0.851 . . . . 25.0 110.973 -178.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -80.06 132.5 35.98 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 107.154 -1.424 . . . . 25.0 107.154 179.102 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -130.61 143.69 50.92 Favored 'General case' 0 C--N 1.317 -0.827 0 O-C-N 121.941 -0.475 . . . . 50.0 110.659 -176.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.1 t -120.3 131.67 54.99 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.437 -0.949 . . . . 25.0 108.437 176.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -113.18 116.5 29.9 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 105.596 -2.002 . . . . 25.0 105.596 -177.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 56.0 ttt85 -126.56 150.17 48.99 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.903 0.859 . . . . 25.0 112.528 -168.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 45.3 p90 -67.95 150.36 48.6 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.79 -1.095 . . . . 25.0 110.47 176.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -114.41 -29.24 6.94 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 107.881 -1.155 . . . . 25.0 107.881 167.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -131.73 163.03 29.08 Favored 'General case' 0 C--O 1.214 -0.811 0 N-CA-C 104.84 -2.282 . . . . 25.0 104.84 176.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 29.3 ptt180 -71.27 -19.84 62.29 Favored 'General case' 0 C--O 1.211 -0.943 0 CA-C-N 119.243 0.929 . . . . 25.0 110.416 174.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -95.16 12.46 28.71 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.733 0.778 . . . . 25.0 111.654 -175.134 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -57.3 -32.36 66.57 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.102 -0.954 . . . . 25.0 113.53 -178.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 46.3 p -133.16 85.44 2.21 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.415 -0.958 . . . . 25.0 108.415 179.177 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 43.8 t-80 -140.23 147.62 40.3 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.64 -0.709 . . . . 25.0 111.445 -170.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 47.8 mtt-85 -119.24 155.93 30.84 Favored 'General case' 0 C--O 1.22 -0.494 0 N-CA-C 108.147 -1.057 . . . . 25.0 108.147 175.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.5 t -150.03 155.73 37.71 Favored Pre-proline 0 C--N 1.318 -0.776 0 N-CA-C 104.595 -2.372 . . . . 25.0 104.595 179.266 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -67.33 -13.77 40.53 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 115.498 -2.535 . . . . 25.0 112.23 174.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 74.4 mt -86.2 -1.32 57.34 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 112.205 0.446 . . . . 25.0 112.205 178.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 144.84 164.9 10.85 Favored Glycine 0 C--O 1.225 -0.439 0 N-CA-C 111.947 -0.461 . . . . 25.0 111.947 -179.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 14.9 t -114.75 142.91 45.88 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.489 0.662 . . . . 25.0 111.113 -178.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -126.06 12.83 7.79 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 107.759 -1.2 . . . . 25.0 107.759 -178.099 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 78.2 p -66.15 140.43 58.2 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.281 -0.872 . . . . 25.0 109.575 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -93.51 158.49 15.68 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.815 0.34 . . . . 50.0 110.39 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 9.5 mp -114.49 132.53 56.25 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 105.34 -2.096 . . . . 25.0 105.34 173.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 26.8 mt -107.85 140.56 25.79 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 N-CA-C 105.269 -2.122 . . . . 25.0 105.269 176.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 62.1 mt -128.27 156.11 43.53 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.054 -0.975 . . . . 25.0 109.322 -172.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.428 ' HB2' ' H ' ' A' ' 49' ' ' GLY . 32.3 m-20 55.34 38.5 30.42 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.769 0.827 . . . . 25.0 110.126 -178.433 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -79.38 117.72 20.61 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-O 121.949 0.881 . . . . 25.0 110.544 -178.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -76.49 143.66 72.72 Favored Pre-proline 0 C--N 1.317 -0.825 0 CA-C-N 114.699 -1.137 . . . . 25.0 108.567 179.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -76.38 -12.05 18.93 Favored 'Trans proline' 0 C--N 1.341 0.157 0 N-CA-C 115.739 1.4 . . . . 25.0 115.739 -173.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.5 m -149.12 17.11 0.95 Allowed 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 113.321 0.86 . . . . 25.0 113.321 -177.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -132.18 -9.15 3.38 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 112.024 0.379 . . . . 25.0 112.024 -178.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -113.87 150.46 33.59 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.154 -1.054 . . . . 50.0 108.154 -178.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 48.1 tttm -136.94 145.42 44.21 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.022 0.379 . . . . 25.0 112.022 -170.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 58.2 mt -117.48 124.98 73.74 Favored 'Isoleucine or valine' 0 C--O 1.238 0.472 0 CA-C-O 121.069 0.461 . . . . 25.0 109.839 -178.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -111.71 114.22 27.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.135 0.493 . . . . 25.0 110.565 -178.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 15.6 m -127.53 36.35 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 CA-C-O 121.876 0.846 . . . . 25.0 110.96 -177.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.43 -15.26 24.82 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 115.166 1.543 . . . . 25.0 115.166 -177.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -76.26 -4.77 43.74 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 113.38 0.882 . . . . 25.0 113.38 -179.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 23.1 mt -104.13 -67.5 0.89 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.655 0.741 . . . . 25.0 109.623 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.538 0 N-CA-C 107.169 -2.372 . . . . 25.0 107.169 -171.702 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 . . . . . 0 N--CA 1.475 0.822 0 N-CA-C 114.306 1.224 . . . . 25.0 114.306 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 83.08 1.94 90.58 Favored Glycine 0 CA--C 1.51 -0.274 0 C-N-CA 121.081 -0.581 . . . . 25.0 112.154 -175.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.461 ' HA ' ' HB3' ' A' ' 119' ' ' TYR . 97.9 m-85 -140.61 162.47 35.3 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 106.504 -1.665 . . . . 25.0 106.504 -179.399 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 59.61 42.52 17.13 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 124.041 0.838 . . . . 25.0 112.27 179.318 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 72.91 20.87 80.06 Favored Glycine 0 CA--C 1.511 -0.208 0 C-N-CA 120.875 -0.678 . . . . 25.0 113.371 174.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 28.2 p -119.96 143.64 47.91 Favored 'General case' 0 CA--C 1.51 -0.568 0 N-CA-C 107.546 -1.279 . . . . 25.0 107.546 179.117 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -77.33 159.65 29.38 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 113.66 0.985 . . . . 25.0 113.66 -175.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -158.42 161.99 37.54 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 106.122 -1.807 . . . . 25.0 106.122 163.345 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 8.7 p -129.66 153.75 39.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 107.976 -1.12 . . . . 25.0 107.976 178.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 43.7 m -146.37 161.78 39.61 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.086 -1.079 . . . . 25.0 108.086 179.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 81.9 mt . . . . . 0 C--N 1.323 -0.554 0 N-CA-C 108.663 -0.865 . . . . 25.0 108.663 178.908 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 20.8 mtt-85 . . . . . 0 CA--C 1.509 -0.602 0 N-CA-C 108.632 -0.877 . . . . 25.0 108.632 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 7.3 m -133.41 147.87 51.77 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.015 -0.735 . . . . 25.0 109.015 -175.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -131.86 145.15 51.37 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 107.859 -1.163 . . . . 25.0 107.859 178.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.6 mp -129.1 144.25 51.14 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 107.008 -1.479 . . . . 25.0 107.008 -179.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 31.8 mttt -130.88 160.27 34.96 Favored 'General case' 0 C--O 1.22 -0.464 0 N-CA-C 112.245 0.461 . . . . 25.0 112.245 -179.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 48.2 t -145.37 -41.78 0.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.28 -1.378 . . . . 25.0 107.28 170.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . 0.461 ' HB3' ' HA ' ' A' ' 99' ' ' TYR . 1.4 t80 . . . . . 0 N--CA 1.474 0.733 0 N-CA-C 114.352 1.241 . . . . 25.0 114.352 171.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.434 ' HA ' ' HA ' ' A' ' 119' ' ' TYR . 13.7 m . . . . . 0 CA--C 1.51 -0.57 0 CA-C-O 121.946 0.879 . . . . 25.0 111.306 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -94.29 119.22 32.75 Favored 'General case' 0 C--N 1.309 -1.174 0 N-CA-C 107.048 -1.464 . . . . 25.0 107.048 178.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -146.36 152.9 39.84 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.868 -1.16 . . . . 25.0 107.868 179.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 2.2 mt -128.58 160.39 32.55 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.504 -0.924 . . . . 25.0 108.504 178.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -136.1 148.17 48.15 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 107.461 -1.311 . . . . 25.0 107.461 175.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 24.8 mt -131.49 146.85 52.44 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 103.006 -2.961 . . . . 25.0 103.006 176.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -143.95 154.86 43.75 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 107.422 -1.325 . . . . 25.0 107.422 179.045 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 67.01 47.17 66.72 Favored Glycine 0 CA--C 1.516 0.154 0 N-CA-C 109.667 -1.373 . . . . 25.0 109.667 -175.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -100.69 148.35 24.97 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 115.325 1.602 . . . . 25.0 115.325 -170.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 70.0 m80 -83.07 46.66 1.14 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.444 -1.253 . . . . 25.0 109.012 169.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -61.04 -29.88 69.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.308 -0.405 . . . . 25.0 111.393 -176.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -62.24 -23.15 66.51 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 116.366 -0.379 . . . . 25.0 111.847 178.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 69.6 p -127.68 29.59 5.45 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 122.235 0.214 . . . . 25.0 111.165 -178.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 4.0 pp -63.01 161.27 13.4 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 112.84 0.682 . . . . 25.0 112.84 -175.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 16.0 t -143.2 161.84 37.19 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.879 -0.786 . . . . 25.0 108.879 177.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -93.91 170.29 9.66 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.031 0.444 . . . . 25.0 110.722 -178.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 91.35 -3.97 79.92 Favored Glycine 0 C--O 1.226 -0.371 0 N-CA-C 115.63 1.012 . . . . 25.0 115.63 174.241 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -76.19 40.31 0.21 Allowed 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 113.546 0.943 . . . . 25.0 113.546 -179.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 1.4 pp -137.09 160.43 36.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.146 0.498 . . . . 25.0 111.057 -177.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 9.1 p -59.66 -24.25 28.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 N-CA-C 115.106 1.521 . . . . 25.0 115.106 -176.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 . . . . . 0 C--N 1.324 -0.532 0 N-CA-C 113.621 0.971 . . . . 25.0 113.621 -174.227 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 19.8 pm0 . . . . . 0 CA--C 1.532 0.257 0 CA-C-O 120.771 0.32 . . . . 25.0 111.293 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -111.84 -175.42 19.91 Favored Glycine 0 N--CA 1.455 -0.095 0 N-CA-C 109.244 -1.543 . . . . 25.0 109.244 176.022 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.3 t -134.06 177.83 7.43 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.377 -0.971 . . . . 25.0 108.377 -178.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -76.09 142.91 41.57 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.022 -1.103 . . . . 25.0 108.022 178.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 107.96 -174.43 19.16 Favored Glycine 0 C--O 1.229 -0.168 0 N-CA-C 106.393 -2.683 . . . . 25.0 106.393 -169.043 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -91.32 135.55 33.73 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 119.252 1.526 . . . . 25.0 110.577 -176.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -123.43 149.15 45.4 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 121.011 0.434 . . . . 50.0 110.996 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 68.0 t -129.14 104.35 10.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 105.206 -2.146 . . . . 25.0 105.206 171.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 89.1 mt -121.56 137.4 54.75 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.416 -0.356 . . . . 25.0 110.213 -175.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 75.9 mt -126.35 124.6 65.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 106.441 -1.689 . . . . 25.0 106.441 178.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -81.85 158.22 38.53 Favored Glycine 0 N--CA 1.448 -0.543 0 CA-C-O 121.801 0.667 . . . . 25.0 113.058 -178.156 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 77.8 p -88.36 -179.95 6.21 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.827 -0.687 . . . . 25.0 109.316 178.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -74.33 -12.84 60.65 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 115.0 1.481 . . . . 25.0 115.0 -175.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.5 m -84.36 168.17 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.076 -0.713 . . . . 25.0 109.076 177.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.84 138.96 27.83 Favored Glycine 0 N--CA 1.452 -0.263 0 N-CA-C 110.637 -0.985 . . . . 25.0 110.637 177.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -143.01 161.97 36.71 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.42 0.629 . . . . 50.0 112.495 -174.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -111.1 122.56 48.18 Favored 'General case' 0 C--O 1.239 0.518 0 N-CA-C 105.019 -2.215 . . . . 25.0 105.019 170.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 78.2 mt -127.04 138.19 55.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 107.658 -1.238 . . . . 25.0 107.658 -172.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 92.2 p -139.9 156.26 46.78 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 121.796 -0.565 . . . . 25.0 109.852 177.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -105.92 -34.99 3.09 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 121.345 -0.455 . . . . 25.0 112.648 178.055 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 70.7 -155.9 53.08 Favored Glycine 0 C--O 1.244 0.755 0 N-CA-C 110.131 -1.188 . . . . 25.0 110.131 -176.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.44 167.08 20.37 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 118.157 0.979 . . . . 25.0 109.175 178.045 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 88.54 171.6 46.27 Favored Glycine 0 C--O 1.243 0.699 0 CA-C-N 116.122 -0.49 . . . . 25.0 113.075 178.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -85.78 117.97 24.98 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 107.631 -1.248 . . . . 25.0 107.631 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -123.44 155.93 36.5 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 112.691 0.626 . . . . 50.0 112.691 -174.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -124.51 118.6 26.98 Favored 'General case' 0 CA--C 1.505 -0.773 0 N-CA-C 105.088 -2.19 . . . . 25.0 105.088 172.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 64.4 mt -122.77 124.01 42.37 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 108.674 -0.861 . . . . 25.0 108.674 -174.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -116.63 139.45 50.51 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 105.873 -1.899 . . . . 25.0 105.873 173.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -96.33 -29.47 8.36 Favored Glycine 0 C--N 1.321 -0.263 0 C-N-CA 121.584 -0.341 . . . . 25.0 113.016 -179.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 70.05 -158.52 53.47 Favored Glycine 0 C--O 1.245 0.828 0 N-CA-C 110.608 -0.997 . . . . 25.0 110.608 -176.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.31 173.26 9.78 Favored 'General case' 0 C--O 1.243 0.757 0 CA-C-O 121.27 0.557 . . . . 25.0 109.708 178.234 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 81.07 164.56 32.43 Favored Glycine 0 C--O 1.239 0.411 0 N-CA-C 110.081 -1.208 . . . . 25.0 110.081 -176.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -84.21 132.77 34.63 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 107.507 -1.294 . . . . 25.0 107.507 -178.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -132.85 149.27 52.28 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 113.555 0.946 . . . . 50.0 113.555 -172.361 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.4 mp -108.13 128.78 54.99 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 105.543 -2.021 . . . . 25.0 105.543 176.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.7 mp -130.52 107.02 8.9 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 113.292 0.849 . . . . 25.0 113.292 -177.107 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -100.46 104.83 16.24 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-O 121.012 0.435 . . . . 25.0 110.232 178.127 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -63.14 -44.61 96.91 Favored Glycine 0 C--O 1.249 1.046 0 N-CA-C 115.789 1.075 . . . . 25.0 115.789 -175.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.46 175.52 43.31 Favored Glycine 0 CA--C 1.518 0.224 0 O-C-N 121.887 -0.772 . . . . 25.0 112.045 -178.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.68 152.63 11.84 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 122.014 -0.698 . . . . 25.0 111.429 -179.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.13 162.72 37.55 Favored Glycine 0 C--O 1.241 0.569 0 N-CA-C 110.634 -0.986 . . . . 25.0 110.634 -177.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.6 ptp85 -81.13 134.43 35.64 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 107.737 -1.208 . . . . 25.0 107.737 -179.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -131.4 165.11 24.23 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 116.352 -0.385 . . . . 50.0 110.282 -174.015 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.7 mpt_? -128.21 121.27 29.0 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 104.084 -2.562 . . . . 25.0 104.084 178.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.6 mp -124.11 98.41 5.77 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 123.435 0.46 . . . . 25.0 111.591 -170.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.3 m -91.52 111.04 22.38 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.208 -0.664 . . . . 25.0 109.208 179.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -73.46 -41.48 44.58 Favored Glycine 0 C--O 1.243 0.671 0 C-N-CA 119.756 -1.212 . . . . 25.0 113.657 -176.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.446 ' H ' ' HB2' ' A' ' 77' ' ' ASP . . . 76.32 -165.26 53.86 Favored Glycine 0 C--O 1.247 0.922 0 N-CA-C 111.506 -0.638 . . . . 25.0 111.506 -177.182 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.9 mt -65.59 158.06 28.14 Favored 'General case' 0 C--O 1.237 0.446 0 N-CA-C 109.863 -0.421 . . . . 25.0 109.863 177.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 88.76 169.59 44.86 Favored Glycine 0 C--O 1.243 0.712 0 N-CA-C 110.976 -0.85 . . . . 25.0 110.976 -178.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.83 131.5 36.49 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 107.483 -1.302 . . . . 25.0 107.483 179.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -130.55 140.21 50.47 Favored 'General case' 0 C--N 1.316 -0.854 0 O-C-N 121.884 -0.51 . . . . 50.0 110.176 -176.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.3 t -118.26 126.28 51.83 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.875 0.845 . . . . 25.0 108.805 176.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -106.58 122.57 46.58 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 105.326 -2.102 . . . . 25.0 105.326 -178.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 58.0 ttt-85 -124.56 145.06 49.79 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 114.193 1.183 . . . . 25.0 114.193 -167.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 34.3 p90 -70.92 155.9 40.25 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.182 -0.917 . . . . 25.0 109.77 173.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -127.95 -23.2 3.39 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 116.074 -0.512 . . . . 25.0 110.321 168.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -135.07 165.98 24.11 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 107.772 -1.196 . . . . 25.0 107.772 179.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -71.21 -29.62 65.38 Favored 'General case' 0 C--O 1.205 -1.269 0 N-CA-C 109.299 -0.63 . . . . 25.0 109.299 172.135 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -98.79 18.48 16.89 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 121.866 0.841 . . . . 25.0 110.938 -176.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -55.49 -37.66 68.11 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.893 -1.048 . . . . 25.0 111.1 -178.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 75.2 m -137.02 117.73 13.99 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 105.884 -1.895 . . . . 25.0 105.884 172.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -153.42 157.99 40.76 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.001 -0.74 . . . . 25.0 109.001 -173.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 58.0 mtt85 -132.52 159.38 39.58 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 118.832 0.742 . . . . 25.0 111.466 178.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 87.2 p -151.07 164.51 19.98 Favored Pre-proline 0 C--N 1.322 -0.622 0 N-CA-C 105.828 -1.916 . . . . 25.0 105.828 179.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -70.11 -13.56 33.94 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 116.21 -2.06 . . . . 25.0 112.723 176.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 81.6 mt -84.22 -2.95 57.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.87 0.367 . . . . 25.0 111.204 178.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 145.63 160.66 8.74 Favored Glycine 0 N--CA 1.452 -0.277 0 CA-C-O 121.923 0.735 . . . . 25.0 113.333 179.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.4 t -96.19 143.43 27.3 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.389 -0.597 . . . . 25.0 109.389 179.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -126.89 17.42 7.33 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 106.073 -1.825 . . . . 25.0 106.073 176.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 29.7 t -73.98 147.18 43.24 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 114.935 -1.03 . . . . 25.0 110.476 -179.177 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -85.61 159.72 19.78 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.75 -0.659 . . . . 50.0 109.888 175.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.6 mp -122.0 124.26 43.58 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 106.612 -1.625 . . . . 25.0 106.612 175.04 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 24.7 mt -104.76 141.16 20.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 108.215 -1.031 . . . . 25.0 108.215 178.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -127.62 158.3 37.89 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.985 -1.007 . . . . 25.0 109.596 -174.096 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.446 ' HB2' ' H ' ' A' ' 49' ' ' GLY . 36.0 m-20 56.77 39.21 29.76 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.237 1.015 . . . . 25.0 111.231 178.583 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -81.34 117.7 22.03 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-N 115.518 -0.765 . . . . 25.0 111.874 -178.131 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -73.75 153.85 89.29 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 114.782 -1.099 . . . . 25.0 111.477 -178.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -74.31 -17.61 21.29 Favored 'Trans proline' 0 C--N 1.346 0.433 0 N-CA-C 116.111 1.543 . . . . 25.0 116.111 -176.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 12.0 t -153.06 12.13 0.48 Allowed 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 114.071 1.137 . . . . 25.0 114.071 -177.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -121.52 -7.76 9.14 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 112.161 0.43 . . . . 25.0 112.161 -176.158 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -113.79 148.52 36.41 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.844 -0.799 . . . . 50.0 108.844 -177.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 38.8 tptt -125.66 142.75 51.35 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.516 -0.311 . . . . 25.0 111.086 -174.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 58.6 mt -117.6 106.43 19.94 Favored 'Isoleucine or valine' 0 C--O 1.244 0.814 0 N-CA-C 108.026 -1.102 . . . . 25.0 108.026 175.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -96.05 110.64 22.85 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.241 -1.022 . . . . 25.0 108.241 177.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -137.42 31.04 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 114.969 -1.014 . . . . 25.0 109.737 -175.659 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.7 t -59.68 -33.47 71.62 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 113.97 1.1 . . . . 25.0 113.97 -175.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -80.83 0.59 34.31 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 115.339 1.607 . . . . 25.0 115.339 -174.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 42.9 mt -76.66 -52.55 9.43 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 105.746 -1.946 . . . . 25.0 105.746 175.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.355 0 CA-C-N 113.372 -1.74 . . . . 25.0 112.101 -179.876 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.476 0.852 0 CA-C-O 120.831 0.348 . . . . 25.0 110.593 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 91.05 4.59 68.82 Favored Glycine 0 N--CA 1.461 0.303 0 N-CA-C 114.972 0.749 . . . . 25.0 114.972 174.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -137.53 163.07 32.05 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.058 -1.09 . . . . 25.0 108.058 179.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 56.01 37.07 28.44 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 113.061 0.763 . . . . 25.0 113.061 177.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 82.73 4.71 89.96 Favored Glycine 0 N--CA 1.453 -0.198 0 C-N-CA 121.202 -0.523 . . . . 25.0 114.1 176.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 43.7 p -100.02 142.62 31.26 Favored 'General case' 0 C--O 1.214 -0.791 0 N-CA-C 107.376 -1.342 . . . . 25.0 107.376 178.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 24.2 mt -79.66 160.23 26.41 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 114.602 1.334 . . . . 25.0 114.602 -176.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -154.39 156.79 37.47 Favored 'General case' 0 C--O 1.239 0.512 0 N-CA-C 104.339 -2.467 . . . . 25.0 104.339 167.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 9.2 p -137.14 155.43 32.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.061 -0.718 . . . . 25.0 109.061 -179.067 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 77.4 p -141.98 141.74 32.91 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 102.839 -3.023 . . . . 25.0 102.839 170.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.474 0.765 0 N-CA-C 116.861 2.171 . . . . 25.0 116.861 -172.227 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 78.9 mtt85 . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 105.808 -1.923 . . . . 25.0 105.808 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 47.9 m -100.61 133.92 44.34 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 107.057 -1.46 . . . . 25.0 107.057 -175.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -131.05 142.88 50.35 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.953 -0.758 . . . . 25.0 108.953 179.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 7.9 mp -119.77 134.68 55.14 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 103.426 -2.805 . . . . 25.0 103.426 175.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -131.53 153.85 49.4 Favored 'General case' 0 CA--C 1.51 -0.577 0 O-C-N 123.139 0.274 . . . . 25.0 110.557 -177.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 81.0 p -142.98 -17.64 0.67 Allowed 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 114.918 1.451 . . . . 25.0 114.918 176.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.544 0.747 0 N-CA-C 118.235 2.68 . . . . 25.0 118.235 -176.095 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 59.7 p . . . . . 0 CA--C 1.519 -0.233 0 N-CA-C 107.593 -1.262 . . . . 25.0 107.593 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -105.21 103.59 13.16 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 106.928 -1.508 . . . . 25.0 106.928 177.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -133.87 149.82 51.35 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.438 -0.801 . . . . 25.0 109.55 -169.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -130.45 164.66 24.29 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 120.69 0.281 . . . . 25.0 111.745 -176.217 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -137.84 147.93 44.99 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.3 -1.0 . . . . 25.0 108.3 175.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 4.1 mt -138.26 138.51 38.51 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 104.515 -2.402 . . . . 25.0 104.515 176.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -120.97 149.25 42.94 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.386 -0.598 . . . . 25.0 109.386 -176.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 57.71 39.28 90.98 Favored Glycine 0 N--CA 1.463 0.452 0 N-CA-C 114.813 0.685 . . . . 25.0 114.813 173.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -91.0 164.59 13.92 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 122.157 -0.613 . . . . 25.0 112.52 -174.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 78.3 m80 -77.83 55.51 1.4 Allowed 'General case' 0 C--O 1.216 -0.676 0 CA-C-N 114.959 -1.018 . . . . 25.0 109.302 169.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -57.76 -30.15 65.39 Favored 'General case' 0 C--O 1.22 -0.458 0 N-CA-C 112.151 0.426 . . . . 25.0 112.151 -175.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -69.39 -25.45 64.16 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 112.972 0.73 . . . . 25.0 112.972 179.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 61.8 p -126.72 -4.04 6.51 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 116.076 1.88 . . . . 25.0 116.076 -175.123 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.8 pp -77.5 161.88 27.58 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 121.734 -0.604 . . . . 25.0 110.656 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 84.3 p -126.19 161.56 27.42 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.091 -0.504 . . . . 25.0 109.808 177.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.54 -13.48 62.36 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 116.481 -0.327 . . . . 25.0 111.722 178.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -63.11 -19.48 61.58 Favored Glycine 0 CA--C 1.518 0.252 0 CA-C-N 116.49 -0.323 . . . . 25.0 113.169 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -72.63 -14.27 61.56 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 122.355 -0.497 . . . . 25.0 111.172 177.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 58.2 mt -97.13 140.38 17.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 105.057 -2.201 . . . . 25.0 105.057 178.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 8.3 p -55.56 -31.82 29.21 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 N-CA-C 113.271 0.841 . . . . 25.0 113.271 -178.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 . . . . . 0 C--N 1.326 -0.424 0 N-CA-C 113.516 0.932 . . . . 25.0 113.516 -179.473 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.956 0 CA-C-O 120.702 0.286 . . . . 25.0 111.072 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -92.66 -166.18 38.79 Favored Glycine 0 N--CA 1.452 -0.275 0 CA-C-O 121.509 0.505 . . . . 25.0 113.45 -177.074 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.442 HG23 ' H ' ' A' ' 6' ' ' GLY . 8.9 t -131.28 -176.72 4.11 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 106.09 -1.819 . . . . 25.0 106.09 178.241 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -83.21 2.9 33.42 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 114.079 1.14 . . . . 25.0 114.079 -175.385 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.442 ' H ' HG23 ' A' ' 4' ' ' THR . . . -87.4 -173.57 48.37 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 108.417 -1.873 . . . . 25.0 108.417 171.675 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 49.8 m-20 -81.04 133.15 35.43 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 118.611 1.205 . . . . 25.0 108.415 178.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -127.03 149.4 49.92 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 112.153 0.427 . . . . 50.0 112.153 -176.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 86.1 t -130.07 104.11 9.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 105.334 -2.098 . . . . 25.0 105.334 170.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 93.3 mt -121.52 138.35 54.33 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.976 -0.379 . . . . 25.0 109.976 -176.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.428 ' HA ' ' HB2' ' A' ' 29' ' ' ASP . 75.0 mt -131.06 125.5 57.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 108.454 -0.943 . . . . 25.0 108.454 -179.087 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -89.73 174.46 41.13 Favored Glycine 0 CA--C 1.519 0.288 0 CA-C-O 121.569 0.538 . . . . 25.0 113.669 -178.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.6 t -108.3 -169.61 1.54 Allowed 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 123.951 0.9 . . . . 25.0 109.41 -178.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -74.29 -17.59 60.83 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 113.551 0.945 . . . . 25.0 113.551 -175.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 36.0 m -75.25 162.55 4.37 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 N-CA-C 109.491 -0.559 . . . . 25.0 109.491 178.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.38 135.43 19.65 Favored Glycine 0 C--O 1.229 -0.163 0 N-CA-C 110.396 -1.081 . . . . 25.0 110.396 178.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -138.82 164.82 28.63 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 112.435 0.531 . . . . 75.0 112.435 -173.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -129.95 115.78 17.66 Favored 'General case' 0 C--O 1.238 0.487 0 N-CA-C 106.835 -1.543 . . . . 25.0 106.835 176.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 53.5 mt -131.12 115.7 30.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.412 0.625 . . . . 25.0 110.72 -175.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 81.2 p -101.33 138.72 37.97 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.531 -0.914 . . . . 25.0 108.531 176.057 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -88.72 -30.62 14.77 Favored Glycine 0 C--O 1.227 -0.334 0 N-CA-C 114.901 0.72 . . . . 25.0 114.901 -178.266 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.22 -161.85 49.82 Favored Glycine 0 C--O 1.244 0.738 0 CA-C-N 117.862 0.831 . . . . 25.0 111.833 -177.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.15 179.03 2.98 Favored 'General case' 0 C--N 1.322 -0.606 0 O-C-N 121.935 -0.744 . . . . 25.0 109.873 177.32 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.47 166.47 34.69 Favored Glycine 0 C--O 1.243 0.661 0 N-CA-C 111.672 -0.571 . . . . 25.0 111.672 -177.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -88.21 125.12 34.47 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 106.492 -1.67 . . . . 25.0 106.492 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -132.06 161.23 33.74 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 114.88 1.437 . . . . 50.0 114.88 -171.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -123.6 121.82 36.56 Favored 'General case' 0 CA--C 1.509 -0.614 0 N-CA-C 106.193 -1.78 . . . . 25.0 106.193 167.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -122.97 104.96 9.57 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.259 -1.015 . . . . 25.0 108.259 -178.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.428 ' HB2' ' HA ' ' A' ' 11' ' ' ILE . 9.6 m-20 -102.82 133.59 47.64 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 107.196 -1.409 . . . . 25.0 107.196 178.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -96.01 -26.44 11.45 Favored Glycine 0 C--O 1.226 -0.38 0 CA-C-N 116.263 -0.426 . . . . 25.0 113.194 -177.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 70.76 -159.56 53.8 Favored Glycine 0 CA--C 1.522 0.515 0 C-N-CA 120.794 -0.717 . . . . 25.0 111.616 -177.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.25 174.99 8.01 Favored 'General case' 0 C--O 1.245 0.828 0 O-C-N 121.776 -0.838 . . . . 25.0 110.137 179.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.82 168.37 39.17 Favored Glycine 0 C--O 1.237 0.289 0 N-CA-C 109.8 -1.32 . . . . 25.0 109.8 -176.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -83.12 139.07 33.41 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 107.216 -1.401 . . . . 25.0 107.216 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -140.42 151.7 45.11 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 113.494 0.924 . . . . 50.0 113.494 -172.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.7 mp -112.1 126.45 55.19 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 107.02 -1.474 . . . . 25.0 107.02 177.031 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.6 mp -132.69 133.47 43.58 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.674 0.62 . . . . 25.0 112.674 -176.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -116.93 138.27 51.66 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 109.067 -0.716 . . . . 25.0 109.067 175.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -85.04 -56.25 2.48 Favored Glycine 0 C--O 1.247 0.93 0 C-N-CA 120.235 -0.983 . . . . 25.0 114.225 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.81 -177.19 53.99 Favored Glycine 0 C--O 1.241 0.56 0 N-CA-C 111.406 -0.678 . . . . 25.0 111.406 -177.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.05 163.14 10.35 Favored 'General case' 0 C--O 1.24 0.594 0 N-CA-C 109.758 -0.46 . . . . 25.0 109.758 177.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 85.66 171.87 48.41 Favored Glycine 0 C--O 1.241 0.57 0 N-CA-C 110.452 -1.059 . . . . 25.0 110.452 -177.266 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.41 ' HB3' ' HA ' ' A' ' 71' ' ' PHE . 9.9 ptp85 -89.68 130.52 35.95 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 107.305 -1.369 . . . . 25.0 107.305 179.357 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -128.34 149.4 50.53 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.372 -0.376 . . . . 50.0 111.424 -173.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -123.25 111.59 16.63 Favored 'General case' 0 CA--C 1.509 -0.622 0 N-CA-C 105.587 -2.005 . . . . 25.0 105.587 179.293 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.2 mp -113.48 120.03 39.63 Favored 'General case' 0 C--O 1.214 -0.805 0 N-CA-C 109.686 -0.487 . . . . 25.0 109.686 -171.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.6 m -104.92 111.68 24.53 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.295 -0.631 . . . . 25.0 109.295 -178.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -77.23 -43.49 16.19 Favored Glycine 0 C--O 1.236 0.256 0 C-N-CA 119.777 -1.201 . . . . 25.0 112.358 -177.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 73.78 -164.44 54.78 Favored Glycine 0 C--O 1.243 0.683 0 C-N-CA 120.954 -0.641 . . . . 25.0 111.592 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.2 mp -63.94 155.45 30.82 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.483 -0.562 . . . . 25.0 109.483 178.394 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 92.68 167.96 39.5 Favored Glycine 0 C--O 1.245 0.843 0 N-CA-C 110.109 -1.196 . . . . 25.0 110.109 -178.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -84.11 130.04 34.87 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 106.531 -1.655 . . . . 25.0 106.531 178.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -126.12 145.61 50.27 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.483 -0.562 . . . . 50.0 109.483 -175.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.8 t -122.41 133.31 54.63 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.33 -0.989 . . . . 25.0 108.33 176.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -118.14 130.27 56.01 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 105.977 -1.86 . . . . 25.0 105.977 -176.193 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 59.7 ttt-85 -132.08 148.38 52.49 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.479 0.657 . . . . 25.0 112.4 -174.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -67.65 158.57 31.88 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.297 -1.001 . . . . 25.0 108.297 171.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -109.39 -38.53 5.45 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 107.189 -1.412 . . . . 25.0 107.189 167.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.2 tp -145.34 170.42 16.36 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.979 -0.749 . . . . 25.0 108.979 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 17.1 ttm180 -59.21 -31.89 69.44 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 121.54 0.686 . . . . 25.0 110.976 176.264 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -74.44 6.81 3.37 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 114.166 1.173 . . . . 25.0 114.166 -178.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.25 -36.02 76.81 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 113.544 0.942 . . . . 25.0 113.544 -178.434 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 38.2 p -149.52 104.09 3.33 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 118.438 0.563 . . . . 25.0 112.023 -176.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.427 ' HD2' ' CD1' ' A' ' 128' ' ' PHE . 8.3 t-80 -152.18 160.94 43.29 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.834 0.35 . . . . 25.0 110.286 -178.015 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 22.6 mtm105 -100.68 152.77 20.06 Favored 'General case' 0 C--O 1.216 -0.672 0 N-CA-C 106.952 -1.499 . . . . 25.0 106.952 174.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 28.5 t -150.52 158.0 36.09 Favored Pre-proline 0 C--N 1.319 -0.72 0 N-CA-C 106.465 -1.68 . . . . 25.0 106.465 -176.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -67.19 -13.7 40.54 Favored 'Trans proline' 0 CA--C 1.538 0.72 0 C-N-CA 115.578 -2.482 . . . . 25.0 112.739 173.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.9 mp -76.04 -6.34 50.63 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.396 0.617 . . . . 25.0 110.592 175.34 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 127.23 170.85 12.94 Favored Glycine 0 N--CA 1.45 -0.377 0 N-CA-C 109.117 -1.593 . . . . 25.0 109.117 -178.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 9.7 t -85.55 139.65 31.28 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.532 -0.914 . . . . 25.0 108.532 178.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.41 ' HA ' ' HB3' ' A' ' 43' ' ' ARG . 97.8 m-85 -117.56 25.36 10.47 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.481 -1.303 . . . . 25.0 107.481 178.093 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.5 t -65.1 144.07 57.48 Favored 'General case' 0 C--O 1.242 0.707 0 CA-C-N 114.325 -1.307 . . . . 25.0 110.004 177.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -95.45 149.34 21.5 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.575 -0.739 . . . . 50.0 109.94 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.9 mp -121.28 130.61 53.75 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 106.002 -1.851 . . . . 25.0 106.002 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 18.8 mt -108.31 139.43 30.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 N-CA-C 106.4 -1.704 . . . . 25.0 106.4 176.337 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 49.9 mt -120.55 151.64 39.14 Favored 'General case' 0 C--N 1.311 -1.071 0 N-CA-C 108.254 -1.017 . . . . 25.0 108.254 -174.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 53.8 43.5 30.89 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-O 121.941 0.877 . . . . 25.0 109.384 -178.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -91.75 126.44 36.83 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.911 -1.04 . . . . 25.0 111.757 -175.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -96.31 101.99 10.01 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.123 -0.944 . . . . 25.0 109.148 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -67.59 -12.05 34.25 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 117.295 -1.337 . . . . 25.0 114.942 -176.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 39.4 t -87.99 -17.22 31.69 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.696 0.999 . . . . 25.0 113.696 177.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -132.92 -35.71 1.06 Allowed 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 114.77 1.396 . . . . 25.0 114.77 -170.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -78.15 159.39 28.64 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.322 -0.621 . . . . 50.0 109.322 -177.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 41.8 tptt -128.31 142.09 51.24 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 112.042 0.386 . . . . 25.0 112.042 -177.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 54.8 mt -122.69 110.63 27.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.668 0 C-N-CA 122.83 0.452 . . . . 25.0 110.7 179.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.09 114.27 26.06 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.612 0.72 . . . . 25.0 110.07 176.076 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.5 m -137.27 30.43 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 CA-C-N 115.136 -0.938 . . . . 25.0 109.792 -177.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.9 t -63.64 -36.89 85.32 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 113.081 0.771 . . . . 25.0 113.081 -176.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.57 -11.22 59.68 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 115.568 1.692 . . . . 25.0 115.568 -174.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 46.8 mt -66.85 -47.15 72.83 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 106.279 -1.748 . . . . 25.0 106.279 178.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.411 0 CA-C-N 113.624 -1.625 . . . . 25.0 111.498 179.646 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 8.5 m120 . . . . . 0 C--O 1.219 -0.522 0 N-CA-C 109.558 -0.534 . . . . 25.0 109.558 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 79.38 -1.96 73.96 Favored Glycine 0 CA--C 1.523 0.556 0 CA-C-N 116.116 -0.493 . . . . 25.0 114.203 -178.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -135.63 161.23 36.12 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.983 -0.747 . . . . 25.0 108.983 -179.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 56.38 37.88 29.22 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 113.724 1.009 . . . . 25.0 113.724 177.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 84.62 29.21 30.25 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.818 -0.706 . . . . 25.0 113.56 174.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 38.8 p -130.69 148.84 52.53 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 106.575 -1.639 . . . . 25.0 106.575 -178.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -94.74 141.4 28.67 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 117.085 2.254 . . . . 25.0 117.085 -168.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -146.42 159.79 42.93 Favored 'General case' 0 C--O 1.239 0.537 0 N-CA-C 106.074 -1.825 . . . . 25.0 106.074 169.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 7.3 p -124.87 143.31 38.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 104.985 -2.228 . . . . 25.0 104.985 176.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 39.4 p -138.2 152.44 48.63 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.654 -0.499 . . . . 25.0 109.654 -174.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 49.8 mt . . . . . 0 C--N 1.321 -0.643 0 CA-C-O 121.523 0.677 . . . . 25.0 109.904 -179.888 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 85.2 mtt-85 . . . . . 0 CA--C 1.513 -0.454 0 N-CA-C 106.955 -1.498 . . . . 25.0 106.955 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 7.0 m -135.88 147.38 48.17 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 107.935 -1.135 . . . . 25.0 107.935 -178.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -132.62 134.48 44.94 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 110.189 -0.3 . . . . 25.0 110.189 178.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 8.4 mp -101.11 132.49 46.54 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 105.584 -2.006 . . . . 25.0 105.584 178.313 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -126.32 147.21 49.77 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.154 0.427 . . . . 25.0 112.154 -174.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 34.2 t -135.81 -34.59 0.81 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.637 -1.165 . . . . 25.0 110.383 175.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.468 0.44 0 CA-C-N 114.848 -1.069 . . . . 25.0 113.605 -179.075 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 77.4 p . . . . . 0 CA--C 1.513 -0.46 0 N-CA-C 116.971 2.211 . . . . 25.0 116.971 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.427 ' CD1' ' HD2' ' A' ' 64' ' ' HIS . 83.4 m-85 -78.39 111.35 14.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.021 -0.991 . . . . 25.0 108.839 170.326 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -139.61 144.85 37.91 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 109.202 -0.666 . . . . 25.0 109.202 176.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.9 mp -136.19 162.05 34.04 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 107.019 -1.474 . . . . 25.0 107.019 179.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -137.43 155.33 49.47 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.3 -0.63 . . . . 25.0 109.3 176.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 35.0 mt -131.17 139.41 49.75 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 104.807 -2.294 . . . . 25.0 104.807 177.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -126.9 149.51 49.75 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.812 -0.44 . . . . 25.0 109.812 178.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 77.21 43.76 15.46 Favored Glycine 0 C--O 1.225 -0.418 0 N-CA-C 110.365 -1.094 . . . . 25.0 110.365 178.367 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 24.9 m120 -96.49 149.4 21.78 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 114.466 1.284 . . . . 25.0 114.466 -172.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -88.51 92.72 9.29 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.251 -1.341 . . . . 25.0 110.801 177.34 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -63.93 -26.45 68.6 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.205 -0.665 . . . . 25.0 109.205 173.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -60.67 -26.07 66.82 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.719 -0.673 . . . . 25.0 110.517 176.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 69.3 p -125.54 39.47 3.95 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 116.622 -0.263 . . . . 25.0 110.63 177.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.2 pp -57.61 137.81 55.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.643 0.735 . . . . 25.0 110.607 -177.076 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 40.8 t -160.46 151.02 18.39 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.291 -1.003 . . . . 25.0 108.291 -177.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -108.81 1.06 20.7 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.829 -0.804 . . . . 25.0 108.829 175.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -74.45 -14.46 80.95 Favored Glycine 0 C--N 1.332 0.312 0 CA-C-N 116.235 -0.439 . . . . 25.0 113.503 -176.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 13.1 p30 -72.38 -18.54 61.73 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 122.267 -0.549 . . . . 25.0 111.149 178.047 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 65.6 mt -77.89 140.91 16.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 104.979 -2.23 . . . . 25.0 104.979 175.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 10.2 p -56.96 -31.9 37.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 N-CA-C 112.942 0.719 . . . . 25.0 112.942 179.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 . . . . . 0 C--N 1.327 -0.372 0 O-C-N 122.321 -0.237 . . . . 25.0 111.535 177.875 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 . . . . . 0 N--CA 1.484 1.241 0 N-CA-C 114.837 1.421 . . . . 25.0 114.837 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -176.23 -163.56 28.96 Favored Glycine 0 C--N 1.329 0.162 0 N-CA-C 106.84 -2.504 . . . . 25.0 106.84 -177.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.3 t -146.9 175.34 10.73 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 118.291 1.045 . . . . 25.0 108.998 -179.11 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -81.3 142.72 32.83 Favored 'General case' 0 C--N 1.321 -0.642 0 O-C-N 121.242 -0.911 . . . . 25.0 109.003 177.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 122.53 -177.16 16.54 Favored Glycine 0 C--O 1.223 -0.554 0 N-CA-C 107.337 -2.305 . . . . 25.0 107.337 -172.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 20.5 m-20 -91.02 115.64 28.17 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 119.779 1.789 . . . . 25.0 108.6 179.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -111.47 157.72 19.97 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.232 0.539 . . . . 50.0 111.566 -173.02 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 93.5 t -123.4 112.94 35.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 103.41 -2.811 . . . . 25.0 103.41 164.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 53.8 mt -119.22 131.91 55.88 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.736 -0.839 . . . . 25.0 108.736 -174.056 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 80.1 mt -129.98 128.28 64.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 107.526 -1.287 . . . . 25.0 107.526 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -86.34 158.29 31.19 Favored Glycine 0 N--CA 1.448 -0.517 0 CA-C-O 121.685 0.603 . . . . 25.0 113.67 -178.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.9 t -81.93 178.33 8.36 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.511 -0.922 . . . . 25.0 108.511 176.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -74.21 -16.66 60.96 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.784 0.661 . . . . 25.0 112.784 -178.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.6 m -78.95 165.79 2.81 Favored 'Isoleucine or valine' 0 C--O 1.239 0.534 0 N-CA-C 109.431 -0.581 . . . . 25.0 109.431 177.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.23 140.14 28.0 Favored Glycine 0 CA--C 1.516 0.154 0 N-CA-C 110.903 -0.879 . . . . 25.0 110.903 177.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -144.75 167.41 22.64 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.312 0.577 . . . . 50.0 112.475 -175.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -115.55 120.5 39.67 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 105.303 -2.11 . . . . 25.0 105.303 167.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 74.3 mt -123.43 133.21 69.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 106.513 -1.662 . . . . 25.0 106.513 -175.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.8 p -135.8 128.2 30.36 Favored 'General case' 0 C--O 1.215 -0.727 0 N-CA-C 108.58 -0.896 . . . . 25.0 108.58 -178.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -81.12 -22.2 61.44 Favored Glycine 0 C--O 1.227 -0.321 0 C-N-CA 120.274 -0.965 . . . . 25.0 112.819 -177.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 65.35 -154.93 49.96 Favored Glycine 0 C--O 1.244 0.758 0 N-CA-C 110.727 -0.949 . . . . 25.0 110.727 -177.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.13 165.87 24.2 Favored 'General case' 0 C--O 1.245 0.868 0 O-C-N 122.062 -0.67 . . . . 25.0 109.469 178.031 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 89.48 169.46 44.1 Favored Glycine 0 C--O 1.239 0.451 0 CA-C-N 115.261 -0.881 . . . . 25.0 111.819 -179.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -92.08 112.5 24.46 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 107.707 -1.22 . . . . 25.0 107.707 -177.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -119.18 157.24 28.36 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 113.287 0.847 . . . . 50.0 113.287 -171.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 59.5 ttt85 -115.71 123.95 49.61 Favored 'General case' 0 CA--C 1.509 -0.627 0 N-CA-C 105.444 -2.058 . . . . 25.0 105.444 165.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.9 mp -111.14 142.56 43.15 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 105.914 -1.884 . . . . 25.0 105.914 178.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.418 ' HA ' ' HB ' ' A' ' 47' ' ' THR . 34.3 t0 -132.5 136.09 46.43 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 104.287 -2.486 . . . . 25.0 104.287 168.3 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -91.47 -22.57 31.28 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 111.025 -0.83 . . . . 25.0 111.025 -179.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 67.91 -159.75 50.81 Favored Glycine 0 C--O 1.249 1.087 0 N-CA-C 109.778 -1.329 . . . . 25.0 109.778 -174.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.24 173.06 10.01 Favored 'General case' 0 C--O 1.245 0.856 0 O-C-N 122.086 -0.656 . . . . 25.0 110.143 178.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 81.59 166.3 36.67 Favored Glycine 0 C--O 1.238 0.37 0 N-CA-C 110.706 -0.957 . . . . 25.0 110.706 -177.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -83.59 132.9 34.88 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 106.918 -1.512 . . . . 25.0 106.918 -179.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -135.35 153.56 51.8 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 113.997 1.11 . . . . 50.0 113.997 -172.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.2 mp -106.37 125.85 51.51 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 104.832 -2.284 . . . . 25.0 104.832 174.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.8 mp -126.59 107.06 9.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.115 0.483 . . . . 25.0 111.297 -177.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -100.62 118.32 36.53 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.926 -0.768 . . . . 25.0 108.926 -178.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -68.59 -48.75 48.37 Favored Glycine 0 C--O 1.249 1.054 0 C-N-CA 120.273 -0.965 . . . . 25.0 114.886 -175.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.97 177.0 50.24 Favored Glycine 0 C--O 1.237 0.294 0 N-CA-C 111.2 -0.76 . . . . 25.0 111.2 -176.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.64 153.83 15.67 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 122.078 -0.66 . . . . 25.0 110.068 179.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 94.55 168.37 36.91 Favored Glycine 0 C--O 1.241 0.566 0 N-CA-C 111.091 -0.804 . . . . 25.0 111.091 -177.132 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.7 ptp85 -90.49 123.37 34.13 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 107.038 -1.467 . . . . 25.0 107.038 -179.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -124.0 157.77 33.64 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.258 -0.428 . . . . 50.0 111.505 -171.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -123.25 104.81 9.38 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 106.115 -1.809 . . . . 25.0 106.115 179.42 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.5 mp -102.54 113.0 26.0 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.082 -0.508 . . . . 25.0 109.691 -171.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.418 ' HB ' ' HA ' ' A' ' 29' ' ' ASP . 11.9 m -102.88 118.66 37.31 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 107.849 -1.167 . . . . 25.0 107.849 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -82.2 -39.38 11.39 Favored Glycine 0 C--O 1.245 0.844 0 C-N-CA 119.539 -1.315 . . . . 25.0 113.008 -176.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.52 -163.21 54.27 Favored Glycine 0 C--O 1.244 0.724 0 N-CA-C 110.564 -1.014 . . . . 25.0 110.564 -176.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 85.7 mt -64.47 157.56 26.3 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.004 0.43 . . . . 25.0 111.024 179.145 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 90.57 168.62 42.47 Favored Glycine 0 C--O 1.243 0.711 0 CA-C-N 115.379 -0.828 . . . . 25.0 111.065 -178.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.48 128.11 34.25 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 106.667 -1.605 . . . . 25.0 106.667 178.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -124.98 141.17 52.3 Favored 'General case' 0 C--N 1.318 -0.795 0 O-C-N 122.057 -0.402 . . . . 50.0 110.381 -175.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.1 t -112.35 118.39 35.11 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 107.74 -1.207 . . . . 25.0 107.74 176.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -99.33 128.33 45.44 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 106.566 -1.642 . . . . 25.0 106.566 -178.089 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -131.39 152.2 50.85 Favored 'General case' 0 CA--C 1.505 -0.782 0 N-CA-C 115.44 1.645 . . . . 25.0 115.44 -168.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -78.1 156.77 29.78 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 113.371 -1.74 . . . . 25.0 107.122 168.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -124.05 -3.97 8.03 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.678 -0.86 . . . . 25.0 108.678 168.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 32.8 tp -159.36 163.26 35.72 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 105.377 -2.083 . . . . 25.0 105.377 -178.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 40.0 ptt180 -69.77 -27.03 64.58 Favored 'General case' 0 C--O 1.21 -0.99 0 CA-C-N 119.327 0.967 . . . . 25.0 109.982 175.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -88.52 10.83 18.94 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.906 0.86 . . . . 25.0 111.374 -174.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -61.19 -35.46 77.21 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.212 -0.904 . . . . 25.0 112.802 -178.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.1 t -144.72 104.41 4.02 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.61 0.719 . . . . 25.0 110.115 -179.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -145.96 156.72 43.7 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.25 -1.018 . . . . 25.0 108.25 -172.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 49.9 mtm-85 -130.49 134.14 46.83 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 119.066 0.848 . . . . 25.0 110.405 175.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 24.5 t -124.88 154.8 70.9 Favored Pre-proline 0 C--N 1.324 -0.534 0 N-CA-C 106.673 -1.602 . . . . 25.0 106.673 -178.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -67.45 -15.55 45.57 Favored 'Trans proline' 0 CA--C 1.536 0.615 0 C-N-CA 115.996 -2.203 . . . . 25.0 112.696 173.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.8 mp -78.65 -9.4 59.38 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 120.885 0.374 . . . . 25.0 110.545 176.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 152.36 150.37 5.36 Favored Glycine 0 N--CA 1.451 -0.344 0 CA-C-O 121.663 0.591 . . . . 25.0 111.932 179.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.4 t -85.77 141.54 29.6 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.091 -0.707 . . . . 25.0 109.091 178.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -124.65 12.58 8.61 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 107.21 -1.404 . . . . 25.0 107.21 175.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 87.5 p -73.0 143.12 47.7 Favored 'General case' 0 C--O 1.244 0.783 0 CA-C-O 121.373 0.606 . . . . 25.0 110.14 -176.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -82.57 156.23 24.07 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.207 -0.906 . . . . 50.0 109.243 178.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.1 mp -120.91 127.81 52.2 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 105.076 -2.194 . . . . 25.0 105.076 177.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 39.5 mt -100.24 140.89 18.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 105.679 -1.971 . . . . 25.0 105.679 175.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -122.99 146.44 47.62 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 107.659 -1.238 . . . . 25.0 107.659 -174.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 53.47 44.18 30.28 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 122.452 1.12 . . . . 25.0 110.941 176.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -80.66 129.65 34.64 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.329 -1.305 . . . . 25.0 109.816 179.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -97.87 104.81 23.54 Favored Pre-proline 0 C--N 1.324 -0.521 0 N-CA-C 109.244 -0.65 . . . . 25.0 109.244 178.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -73.05 4.33 3.82 Favored 'Trans proline' 0 C--N 1.343 0.285 0 N-CA-C 114.998 1.115 . . . . 25.0 114.998 -177.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 26.5 t -102.32 -8.01 21.58 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 122.192 0.197 . . . . 25.0 111.427 176.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -144.48 -35.8 0.34 Allowed 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 115.351 1.611 . . . . 25.0 115.351 -173.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -80.42 153.49 28.23 Favored 'General case' 0 C--N 1.322 -0.589 0 O-C-N 122.213 -0.305 . . . . 50.0 110.769 -173.037 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 39.8 tptt -131.66 150.24 52.22 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 109.887 -0.412 . . . . 25.0 109.887 -175.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 43.7 mt -123.6 119.9 58.5 Favored 'Isoleucine or valine' 0 C--O 1.241 0.655 0 N-CA-C 109.375 -0.602 . . . . 25.0 109.375 179.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -90.99 129.01 37.04 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.937 -1.134 . . . . 25.0 107.937 177.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 31.2 m -133.42 21.51 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 CA-C-O 121.482 0.658 . . . . 25.0 111.849 -176.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 25.1 t -55.97 -40.18 72.87 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 114.324 1.231 . . . . 25.0 114.324 -174.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.61 -13.06 61.29 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 113.501 0.926 . . . . 25.0 113.501 -179.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 14.0 mt -87.9 -33.09 18.62 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 106.07 -1.826 . . . . 25.0 106.07 -179.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.354 0 N-CA-C 116.792 1.477 . . . . 25.0 116.792 168.427 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 . . . . . 0 N--CA 1.467 0.416 0 N-CA-C 108.751 -0.833 . . . . 25.0 108.751 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 85.15 1.08 88.63 Favored Glycine 0 N--CA 1.459 0.231 0 CA-C-N 115.953 -0.567 . . . . 25.0 114.337 179.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -140.76 158.01 44.59 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.654 -0.869 . . . . 25.0 108.654 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 56.02 48.89 16.82 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 113.944 1.09 . . . . 25.0 113.944 175.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 83.41 10.72 81.58 Favored Glycine 0 CA--C 1.51 -0.219 0 C-N-CA 120.693 -0.765 . . . . 25.0 114.108 172.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 21.1 p -118.54 131.02 56.23 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.907 -1.146 . . . . 25.0 107.907 -177.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -94.6 124.32 38.57 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 116.122 1.897 . . . . 25.0 116.122 -169.34 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -119.57 166.67 12.85 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 109.039 -0.726 . . . . 25.0 109.039 173.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 8.6 p -125.66 152.21 32.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 108.565 -0.902 . . . . 25.0 108.565 -177.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 38.2 m -143.0 161.55 37.81 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 107.366 -1.346 . . . . 25.0 107.366 179.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 26.6 mt . . . . . 0 C--N 1.322 -0.604 0 N-CA-C 109.641 -0.503 . . . . 25.0 109.641 -179.346 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 82.2 mtt85 . . . . . 0 CA--C 1.506 -0.718 0 N-CA-C 109.348 -0.612 . . . . 25.0 109.348 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 4.5 m -134.15 150.02 51.08 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 106.939 -1.504 . . . . 25.0 106.939 -178.271 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -133.33 144.75 49.85 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.108 -1.071 . . . . 25.0 108.108 -178.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 8.2 mp -124.62 132.93 53.4 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 106.507 -1.664 . . . . 25.0 106.507 179.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 67.0 tttt -138.75 132.16 30.28 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 111.518 0.192 . . . . 25.0 111.518 -176.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.2 t -120.25 -27.17 5.31 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 123.776 0.673 . . . . 25.0 111.489 176.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 5.4 t80 . . . . . 0 N--CA 1.472 0.667 0 CA-C-O 122.537 1.16 . . . . 25.0 112.761 177.866 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 56.9 p . . . . . 0 CA--C 1.515 -0.372 0 N-CA-C 110.338 -0.245 . . . . 25.0 110.338 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -126.62 138.57 53.46 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.623 -0.88 . . . . 25.0 108.623 178.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -147.3 151.47 36.65 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.148 -1.056 . . . . 25.0 108.148 -175.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 2.2 mt -132.85 169.06 17.3 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 122.854 0.462 . . . . 25.0 111.26 -175.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -148.21 160.33 43.05 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.747 -0.834 . . . . 25.0 108.747 175.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 40.8 mt -138.32 139.49 39.11 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 105.586 -2.005 . . . . 25.0 105.586 179.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.98 144.79 51.74 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 106.708 -1.589 . . . . 25.0 106.708 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 56.95 50.1 66.52 Favored Glycine 0 C--O 1.228 -0.249 0 C-N-CA 120.356 -0.926 . . . . 25.0 112.173 176.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -107.6 161.48 14.82 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 122.372 -0.487 . . . . 25.0 109.982 -176.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 71.1 m80 -77.43 67.7 3.41 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.982 -0.748 . . . . 25.0 108.982 172.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -61.29 -29.94 70.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.942 -0.572 . . . . 25.0 110.278 -179.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.05 -26.76 67.85 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.928 -0.578 . . . . 25.0 111.684 178.064 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 66.8 p -126.3 26.8 6.35 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 111.943 0.349 . . . . 25.0 111.943 -179.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.4 pp -64.43 154.04 36.9 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.414 0.626 . . . . 25.0 111.835 -175.196 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 99.5 p -149.93 142.93 24.9 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.784 -0.821 . . . . 25.0 108.784 176.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -86.09 -4.93 59.27 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 121.107 0.48 . . . . 25.0 111.466 -178.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -67.62 -10.84 58.88 Favored Glycine 0 C--O 1.227 -0.325 0 C-N-CA 121.29 -0.481 . . . . 25.0 114.031 -178.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -87.64 -6.24 58.36 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 112.563 0.579 . . . . 25.0 112.563 -178.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 84.7 mt -74.67 144.1 12.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 102.565 -3.124 . . . . 25.0 102.565 170.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 4.4 p -53.05 -32.96 19.06 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 N-CA-C 113.466 0.913 . . . . 25.0 113.466 -176.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 . . . . . 0 C--N 1.329 -0.311 0 N-CA-C 113.54 0.941 . . . . 25.0 113.54 -179.481 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 . . . . . 0 N--CA 1.482 1.16 0 N-CA-C 113.924 1.083 . . . . 25.0 113.924 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -172.18 -161.4 22.62 Favored Glycine 0 C--O 1.235 0.161 0 N-CA-C 107.538 -2.225 . . . . 25.0 107.538 179.422 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.3 t -148.96 173.43 13.34 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 107.414 -1.328 . . . . 25.0 107.414 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -81.91 148.72 28.61 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 119.17 0.895 . . . . 25.0 109.206 177.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 117.16 -176.0 15.98 Favored Glycine 0 C--O 1.224 -0.492 0 N-CA-C 107.685 -2.166 . . . . 25.0 107.685 -172.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 46.9 m-20 -91.44 105.75 17.99 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 119.344 1.572 . . . . 25.0 108.994 -179.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -95.74 154.38 17.25 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.663 0.268 . . . . 50.0 110.964 -173.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 65.3 t -129.12 103.37 9.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 104.492 -2.41 . . . . 25.0 104.492 167.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 64.5 mt -123.12 139.43 54.07 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.222 -0.445 . . . . 25.0 111.089 -172.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 89.3 mt -129.37 126.88 64.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 105.715 -1.958 . . . . 25.0 105.715 176.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -77.81 158.13 46.3 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.965 -0.636 . . . . 25.0 113.077 -177.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.5 t -77.21 174.94 10.17 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 107.775 -1.195 . . . . 25.0 107.775 176.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -76.23 -10.3 59.3 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 112.729 0.641 . . . . 25.0 112.729 -178.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.7 m -79.93 166.0 2.65 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 N-CA-C 109.217 -0.66 . . . . 25.0 109.217 175.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.47 139.75 27.13 Favored Glycine 0 CA--C 1.516 0.124 0 N-CA-C 111.028 -0.829 . . . . 25.0 111.028 177.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -146.84 163.9 34.56 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 113.381 0.882 . . . . 50.0 113.381 -174.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -108.6 124.27 50.23 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 104.059 -2.571 . . . . 25.0 104.059 161.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 58.2 mt -124.39 120.14 58.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 N-CA-C 105.536 -2.024 . . . . 25.0 105.536 -178.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 45.6 p -120.07 142.49 48.82 Favored 'General case' 0 C--O 1.214 -0.815 0 N-CA-C 108.552 -0.907 . . . . 25.0 108.552 -175.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -97.51 -22.34 16.84 Favored Glycine 0 C--O 1.225 -0.413 0 C-N-CA 120.421 -0.895 . . . . 25.0 112.246 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 62.55 -148.22 49.34 Favored Glycine 0 C--O 1.244 0.773 0 C-N-CA 120.252 -0.975 . . . . 25.0 110.792 -178.112 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.54 162.39 28.83 Favored 'General case' 0 C--O 1.245 0.867 0 CA-C-O 121.358 0.599 . . . . 25.0 109.813 178.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.05 167.6 37.43 Favored Glycine 0 C--O 1.239 0.408 0 CA-C-N 115.061 -0.972 . . . . 25.0 112.353 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -91.42 101.4 14.08 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.04 -1.096 . . . . 25.0 108.04 -178.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -106.84 164.16 12.34 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 113.654 0.983 . . . . 50.0 113.654 -170.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -124.52 123.29 39.79 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 105.074 -2.195 . . . . 25.0 105.074 168.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 62.6 mt -122.37 137.74 54.76 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.772 -0.825 . . . . 25.0 108.772 -176.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -131.62 140.28 49.35 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 105.544 -2.021 . . . . 25.0 105.544 174.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -87.73 -25.99 30.92 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 121.355 -0.45 . . . . 25.0 112.397 -179.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 68.12 -158.3 52.05 Favored Glycine 0 C--O 1.245 0.833 0 N-CA-C 108.48 -1.848 . . . . 25.0 108.48 -172.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.2 176.37 8.14 Favored 'General case' 0 C--O 1.247 0.969 0 CA-C-N 118.325 1.062 . . . . 25.0 109.89 177.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.5 167.84 35.06 Favored Glycine 0 C--O 1.237 0.326 0 N-CA-C 110.17 -1.172 . . . . 25.0 110.17 -176.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -83.79 138.07 33.42 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 107.508 -1.293 . . . . 25.0 107.508 -179.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -139.64 147.84 41.59 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 114.662 1.356 . . . . 50.0 114.662 -173.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.2 mp -102.37 124.39 47.86 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 104.694 -2.336 . . . . 25.0 104.694 170.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 19.0 mt -115.24 107.01 14.72 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 107.744 -1.206 . . . . 25.0 107.744 178.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -105.05 94.22 5.12 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.307 -0.861 . . . . 25.0 109.754 -173.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -57.28 -49.31 73.58 Favored Glycine 0 C--O 1.247 0.968 0 N-CA-C 116.995 1.558 . . . . 25.0 116.995 -172.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.21 179.0 50.1 Favored Glycine 0 CA--C 1.519 0.328 0 O-C-N 122.002 -0.705 . . . . 25.0 112.414 -177.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.57 149.49 13.76 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 122.497 -0.413 . . . . 25.0 110.765 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 95.25 163.87 34.71 Favored Glycine 0 C--O 1.243 0.69 0 N-CA-C 110.49 -1.044 . . . . 25.0 110.49 -176.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.2 ptp85 -89.31 126.6 35.59 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 106.661 -1.607 . . . . 25.0 106.661 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -123.66 160.37 27.31 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.982 -0.554 . . . . 50.0 110.456 -171.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.36 111.89 18.32 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 107.31 -1.367 . . . . 25.0 107.31 178.655 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.9 mp -109.16 135.01 50.99 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.789 0.328 . . . . 25.0 111.311 -172.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 28.4 m -129.5 126.22 38.14 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.312 -0.995 . . . . 25.0 108.312 177.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -82.64 -43.07 7.99 Favored Glycine 0 C--O 1.242 0.607 0 C-N-CA 119.925 -1.131 . . . . 25.0 114.859 -175.518 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.4 -164.05 54.57 Favored Glycine 0 C--O 1.24 0.47 0 N-CA-C 110.27 -1.132 . . . . 25.0 110.27 -175.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 84.3 mt -66.48 160.27 25.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 122.656 -0.32 . . . . 25.0 110.571 178.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 87.42 174.29 48.53 Favored Glycine 0 C--O 1.238 0.371 0 N-CA-C 110.302 -1.119 . . . . 25.0 110.302 -177.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.75 134.34 33.96 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 107.127 -1.434 . . . . 25.0 107.127 177.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -133.78 142.36 47.86 Favored 'General case' 0 C--N 1.319 -0.719 0 O-C-N 121.718 -0.614 . . . . 50.0 110.832 -175.024 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.9 t -113.86 123.2 49.22 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 122.26 1.029 . . . . 25.0 110.659 173.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -89.59 99.79 12.72 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 103.1 -2.926 . . . . 25.0 103.1 176.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 68.7 ttt-85 -120.05 149.54 42.01 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 113.849 1.055 . . . . 25.0 113.849 -160.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -66.08 156.37 34.06 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.502 -1.226 . . . . 25.0 110.879 173.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -129.85 -27.76 2.28 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.573 -0.899 . . . . 25.0 108.573 168.015 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 44.5 tp -145.87 156.59 43.65 Favored 'General case' 0 C--O 1.216 -0.675 0 N-CA-C 106.903 -1.518 . . . . 25.0 106.903 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 40.6 ptt180 -62.29 -24.51 67.34 Favored 'General case' 0 C--O 1.214 -0.787 0 CA-C-O 121.307 0.575 . . . . 25.0 112.472 178.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -87.2 11.84 13.14 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.323 0.582 . . . . 25.0 112.324 -177.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.58 -41.25 73.09 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 115.362 1.616 . . . . 25.0 115.362 -176.239 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 34.6 p -148.75 106.61 3.69 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.636 -0.505 . . . . 25.0 109.636 -176.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.513 ' HD2' ' CD1' ' A' ' 128' ' ' PHE . 13.3 t-80 -151.53 172.93 15.24 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.659 0.266 . . . . 25.0 110.313 -174.59 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -104.06 159.05 15.99 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 107.864 -1.161 . . . . 25.0 107.864 174.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 28.0 t -151.85 154.89 33.41 Favored Pre-proline 0 C--N 1.319 -0.752 0 N-CA-C 106.221 -1.77 . . . . 25.0 106.221 178.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -67.33 -14.28 42.27 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 115.843 -2.304 . . . . 25.0 112.139 173.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 76.0 mt -81.87 -0.67 44.68 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 122.751 0.42 . . . . 25.0 111.686 177.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 127.89 171.99 13.13 Favored Glycine 0 C--O 1.226 -0.392 0 N-CA-C 110.472 -1.051 . . . . 25.0 110.472 -178.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 13.7 t -82.06 148.59 28.51 Favored 'General case' 0 C--N 1.321 -0.66 0 O-C-N 121.756 -0.849 . . . . 25.0 109.557 179.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -125.95 23.56 7.18 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 106.273 -1.751 . . . . 25.0 106.273 176.214 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 26.0 p -64.33 139.15 58.74 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.985 -1.007 . . . . 25.0 109.805 178.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -82.29 155.94 24.57 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-O 120.927 0.394 . . . . 50.0 110.188 177.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.1 mp -120.81 129.67 53.66 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.955 -1.021 . . . . 25.0 108.507 179.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 11.6 mt -108.01 146.28 14.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 N-CA-C 105.61 -1.996 . . . . 25.0 105.61 174.259 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -81.13 170.17 16.5 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 106.924 -1.51 . . . . 25.0 106.924 174.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -56.18 138.13 50.56 Favored 'General case' 0 C--O 1.242 0.705 0 N-CA-C 108.079 -1.082 . . . . 25.0 108.079 175.152 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 25.1 p90 -142.1 -171.48 3.38 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 113.468 0.914 . . . . 25.0 113.468 -174.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -99.36 90.21 1.13 Allowed Pre-proline 0 N--CA 1.474 0.743 0 C-N-CA 123.086 0.554 . . . . 25.0 110.69 -176.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -73.05 1.09 6.94 Favored 'Trans proline' 0 CA--C 1.533 0.458 0 N-CA-C 115.242 1.208 . . . . 25.0 115.242 -174.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 34.4 t -87.51 -9.33 54.81 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 122.324 -0.235 . . . . 25.0 110.663 174.179 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -137.68 -31.94 0.77 Allowed 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 113.685 0.994 . . . . 25.0 113.685 -174.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -85.55 174.68 9.28 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.109 0.481 . . . . 50.0 111.404 -173.642 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 51.3 tptt -147.95 146.28 28.92 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.918 -0.583 . . . . 25.0 110.774 -169.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 73.4 mt -116.91 112.08 37.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 106.205 -1.776 . . . . 25.0 106.205 172.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -110.4 111.59 22.97 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.343 0.592 . . . . 25.0 109.959 -177.187 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 15.3 m -125.5 21.45 3.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 CA-C-N 115.377 -0.829 . . . . 25.0 111.709 -176.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.7 t -55.65 -41.83 74.16 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 114.349 1.24 . . . . 25.0 114.349 -175.221 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -76.2 -3.76 38.1 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 115.424 1.639 . . . . 25.0 115.424 -174.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 25.3 mt -75.54 -43.58 48.01 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 105.413 -2.069 . . . . 25.0 105.413 176.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.636 0 CA-C-N 113.102 -1.863 . . . . 25.0 112.701 176.517 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 15.2 m120 . . . . . 0 CA--C 1.536 0.439 0 CA-C-O 120.703 0.287 . . . . 25.0 110.319 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 81.08 -2.44 81.13 Favored Glycine 0 N--CA 1.46 0.254 0 N-CA-C 117.067 1.587 . . . . 25.0 117.067 177.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -141.09 152.74 45.02 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 117.296 0.548 . . . . 25.0 111.022 -177.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 54.8 48.73 19.47 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 114.039 1.126 . . . . 25.0 114.039 175.259 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 84.98 19.95 58.48 Favored Glycine 0 CA--C 1.51 -0.226 0 C-N-CA 120.391 -0.909 . . . . 25.0 113.528 174.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 30.1 p -128.61 139.91 52.03 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 105.869 -1.901 . . . . 25.0 105.869 179.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 22.2 mt -90.07 163.38 14.91 Favored 'General case' 0 C--O 1.217 -0.654 0 N-CA-C 115.761 1.763 . . . . 25.0 115.761 -171.064 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -153.46 164.27 38.5 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 106.383 -1.71 . . . . 25.0 106.383 172.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 10.7 p -122.36 152.14 26.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 106.039 -1.837 . . . . 25.0 106.039 177.117 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 47.0 m -146.46 161.75 39.74 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 107.758 -1.201 . . . . 25.0 107.758 178.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 41.1 mt . . . . . 0 C--N 1.322 -0.587 0 N-CA-C 107.907 -1.145 . . . . 25.0 107.907 179.507 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 3.5 mmt85 . . . . . 0 CA--C 1.511 -0.545 0 N-CA-C 108.511 -0.922 . . . . 25.0 108.511 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 6.1 m -127.13 141.62 51.71 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 107.911 -1.144 . . . . 25.0 107.911 177.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -129.04 151.41 49.76 Favored 'General case' 0 C--N 1.32 -0.694 0 O-C-N 121.741 -0.599 . . . . 25.0 110.487 -175.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 86.7 mt -126.99 135.29 50.65 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 106.545 -1.65 . . . . 25.0 106.545 174.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -143.97 136.81 27.25 Favored 'General case' 0 C--O 1.22 -0.469 0 N-CA-C 113.222 0.823 . . . . 25.0 113.222 -174.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.2 t -112.97 -17.21 12.52 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 112.816 0.673 . . . . 25.0 112.816 176.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 10.0 t80 . . . . . 0 N--CA 1.477 0.907 0 N-CA-C 114.451 1.278 . . . . 25.0 114.451 -170.098 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 41.3 t . . . . . 0 CA--C 1.514 -0.437 0 N-CA-C 113.749 1.018 . . . . 25.0 113.749 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.513 ' CD1' ' HD2' ' A' ' 64' ' ' HIS . 65.1 m-85 -70.54 107.29 3.8 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 107.656 -1.239 . . . . 25.0 107.656 170.398 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -136.73 150.51 48.47 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.241 -0.651 . . . . 25.0 109.241 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 5.7 mp -131.46 153.53 49.65 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 107.208 -1.405 . . . . 25.0 107.208 177.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -140.88 103.59 4.52 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 106.628 -1.619 . . . . 25.0 106.628 178.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -117.44 174.04 6.36 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.551 -0.537 . . . . 25.0 109.551 -174.386 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -75.58 -162.92 0.22 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.173 -0.467 . . . . 25.0 110.965 -179.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -76.57 -170.61 31.97 Favored Glycine 0 N--CA 1.452 -0.244 0 N-CA-C 111.406 -0.678 . . . . 25.0 111.406 -178.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -161.26 164.09 30.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 121.973 -0.722 . . . . 25.0 111.523 -178.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 74.9 m80 -78.05 81.74 4.42 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-O 121.097 0.475 . . . . 25.0 109.759 175.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -60.25 -29.3 68.68 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.092 -0.706 . . . . 25.0 109.092 176.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -60.15 -24.57 64.83 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 115.633 -0.712 . . . . 25.0 111.681 176.121 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 51.8 p -122.23 27.94 7.72 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 112.209 0.448 . . . . 25.0 112.209 178.293 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.7 pp -66.88 159.52 28.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.345 0.593 . . . . 25.0 111.687 -177.293 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 83.1 p -140.33 147.52 39.98 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.197 -1.038 . . . . 25.0 108.197 174.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -70.72 -12.75 61.74 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.179 0.514 . . . . 25.0 112.143 -177.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -88.68 9.01 77.76 Favored Glycine 0 C--O 1.225 -0.434 0 N-CA-C 114.373 0.509 . . . . 25.0 114.373 -177.276 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -58.4 -45.6 88.06 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 114.411 1.263 . . . . 25.0 114.411 -175.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 49.1 pt -90.09 161.0 2.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.199 -0.667 . . . . 25.0 109.199 -179.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 10.0 p -58.46 -27.79 34.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 N-CA-C 113.673 0.99 . . . . 25.0 113.673 -176.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 . . . . . 0 C--N 1.326 -0.423 0 N-CA-C 112.671 0.619 . . . . 25.0 112.671 -179.323 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 118.528 -0.749 . . . . 25.0 109.742 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 62.87 177.81 0.15 Allowed 'General case' 0 N--CA 1.477 0.891 0 O-C-N 124.657 1.223 . . . . 25.0 109.676 -172.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -103.75 178.72 25.1 Favored Glycine 0 N--CA 1.451 -0.307 0 N-CA-C 111.643 -0.583 . . . . 25.0 111.643 -178.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.8 t -133.64 -171.49 2.73 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 106.309 -1.737 . . . . 25.0 106.309 179.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -75.49 140.39 42.78 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 108.061 -1.088 . . . . 25.0 108.061 178.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.49 -175.91 19.17 Favored Glycine 0 C--N 1.323 -0.174 0 N-CA-C 107.371 -2.292 . . . . 25.0 107.371 -170.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -89.03 139.27 30.62 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 119.061 1.431 . . . . 25.0 110.345 -176.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -132.94 152.75 51.87 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-O 121.171 0.51 . . . . 50.0 111.513 -178.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 96.0 t -124.57 114.24 39.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 104.189 -2.522 . . . . 25.0 104.189 170.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 67.9 mt -119.31 133.13 55.89 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.294 -0.632 . . . . 25.0 109.294 -173.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 71.5 mt -126.66 123.7 63.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 108.269 -1.012 . . . . 25.0 108.269 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -87.71 156.77 28.06 Favored Glycine 0 N--CA 1.451 -0.328 0 CA-C-O 121.569 0.538 . . . . 25.0 112.705 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 88.4 p -90.0 -179.1 5.62 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 123.805 0.842 . . . . 25.0 110.786 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -63.82 -26.51 68.66 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 115.498 1.666 . . . . 25.0 115.498 -177.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.9 m -79.23 166.1 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.779 -0.452 . . . . 25.0 109.779 -178.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.46 139.15 28.62 Favored Glycine 0 N--CA 1.453 -0.191 0 N-CA-C 109.991 -1.244 . . . . 25.0 109.991 176.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -141.97 160.99 39.1 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 117.304 0.552 . . . . 50.0 111.395 -173.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -117.57 115.62 25.48 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 105.619 -1.993 . . . . 25.0 105.619 173.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 53.2 mt -127.19 124.37 64.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.59 -0.277 . . . . 25.0 110.339 -172.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 69.6 p -115.58 142.56 46.56 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.887 -0.783 . . . . 25.0 108.887 174.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.62 -21.84 35.86 Favored Glycine 0 C--O 1.24 0.497 0 C-N-CA 121.201 -0.523 . . . . 25.0 114.077 -178.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 74.92 -164.7 54.61 Favored Glycine 0 C--O 1.248 1.001 0 O-C-N 122.201 -0.587 . . . . 25.0 111.764 -176.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.9 170.74 13.1 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 121.802 -0.822 . . . . 25.0 108.968 177.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.73 175.66 49.4 Favored Glycine 0 C--O 1.241 0.578 0 CA-C-N 116.435 -0.348 . . . . 25.0 113.453 178.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -85.85 115.12 23.29 Favored 'General case' 0 CA--C 1.512 -0.488 0 N-CA-C 108.78 -0.822 . . . . 25.0 108.78 -178.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -125.66 153.86 43.21 Favored 'General case' 0 C--O 1.241 0.649 0 N-CA-C 113.351 0.871 . . . . 50.0 113.351 -174.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 45.0 ttt85 -113.93 130.58 56.5 Favored 'General case' 0 CA--C 1.509 -0.612 0 N-CA-C 105.504 -2.036 . . . . 25.0 105.504 167.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.2 mp -118.51 133.89 55.51 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 106.66 -1.607 . . . . 25.0 106.66 176.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -125.25 135.3 52.4 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 105.912 -1.884 . . . . 25.0 105.912 177.101 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -103.17 -30.53 5.35 Favored Glycine 0 C--N 1.32 -0.321 0 N-CA-C 114.694 0.638 . . . . 25.0 114.694 -175.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 67.28 -154.93 52.89 Favored Glycine 0 C--O 1.246 0.878 0 C-N-CA 120.408 -0.901 . . . . 25.0 111.604 -176.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.89 175.31 6.68 Favored 'General case' 0 C--O 1.248 0.987 0 O-C-N 122.225 -0.573 . . . . 25.0 109.926 178.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 81.08 161.22 26.1 Favored Glycine 0 C--O 1.241 0.544 0 N-CA-C 111.08 -0.808 . . . . 25.0 111.08 -178.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -84.36 124.02 30.83 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 106.293 -1.743 . . . . 25.0 106.293 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -124.26 151.53 44.08 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 113.246 0.832 . . . . 50.0 113.246 -171.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 mp -111.81 124.93 53.4 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 106.867 -1.531 . . . . 25.0 106.867 175.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.1 mp -124.97 114.89 19.73 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.703 0.631 . . . . 25.0 112.703 -175.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -105.02 116.47 32.0 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 116.028 -0.533 . . . . 25.0 109.821 179.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -66.94 -45.18 85.74 Favored Glycine 0 C--O 1.248 1.001 0 C-N-CA 120.488 -0.863 . . . . 25.0 115.218 -177.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.98 174.57 42.95 Favored Glycine 0 CA--C 1.519 0.294 0 N-CA-C 111.191 -0.764 . . . . 25.0 111.191 -177.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.84 153.85 10.23 Favored 'General case' 0 C--O 1.238 0.448 0 O-C-N 121.962 -0.728 . . . . 25.0 111.541 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 88.46 167.94 43.69 Favored Glycine 0 C--O 1.239 0.451 0 N-CA-C 110.795 -0.922 . . . . 25.0 110.795 -175.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.0 ptp85 -80.98 145.12 31.36 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 107.389 -1.337 . . . . 25.0 107.389 178.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -140.17 162.88 34.18 Favored 'General case' 0 C--N 1.317 -0.844 0 O-C-N 122.029 -0.42 . . . . 50.0 111.53 -175.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -127.61 115.59 19.01 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 106.235 -1.765 . . . . 25.0 106.235 177.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.8 mp -113.47 127.93 56.27 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.636 0.255 . . . . 25.0 111.253 -172.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.51 115.32 23.21 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.355 -0.98 . . . . 25.0 108.355 -179.03 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -80.36 -40.87 12.4 Favored Glycine 0 N--CA 1.462 0.41 0 C-N-CA 120.288 -0.958 . . . . 25.0 115.377 -175.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.66 -166.79 54.86 Favored Glycine 0 C--O 1.242 0.632 0 C-N-CA 120.775 -0.726 . . . . 25.0 111.505 -175.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 74.4 mt -62.34 157.91 18.68 Favored 'General case' 0 C--O 1.241 0.629 0 C-N-CA 122.618 0.367 . . . . 25.0 111.242 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 91.25 168.59 41.68 Favored Glycine 0 C--O 1.244 0.729 0 N-CA-C 110.725 -0.95 . . . . 25.0 110.725 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.69 125.34 31.77 Favored 'General case' 0 C--O 1.217 -0.619 0 N-CA-C 106.028 -1.842 . . . . 25.0 106.028 177.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -124.64 146.93 48.83 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 109.4 -0.592 . . . . 50.0 109.4 -175.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.6 t -119.59 133.23 55.75 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 108.361 -0.978 . . . . 25.0 108.361 177.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -113.67 124.22 51.78 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 106.22 -1.77 . . . . 25.0 106.22 -178.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 40.0 ttt85 -131.35 152.84 50.23 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 113.717 1.006 . . . . 25.0 113.717 -171.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 28.7 p90 -70.26 155.79 40.16 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.166 -1.379 . . . . 25.0 107.864 167.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -122.68 -19.21 6.34 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 108.973 -0.751 . . . . 25.0 108.973 169.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -129.03 164.01 24.15 Favored 'General case' 0 C--O 1.221 -0.432 0 N-CA-C 107.7 -1.222 . . . . 25.0 107.7 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 37.4 ptt180 -75.31 -16.62 60.4 Favored 'General case' 0 C--O 1.21 -1.013 0 CA-C-O 121.542 0.687 . . . . 25.0 109.991 173.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -106.73 13.35 28.12 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.604 0.716 . . . . 25.0 110.195 -176.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -57.24 -33.07 67.2 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 115.058 1.503 . . . . 25.0 115.058 -173.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 36.8 p -145.82 97.85 3.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.793 0.33 . . . . 25.0 111.228 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -142.07 166.65 24.11 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.933 -0.395 . . . . 25.0 109.933 177.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -132.67 153.03 51.5 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 107.479 -1.304 . . . . 25.0 107.479 178.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 94.5 p -155.59 169.13 10.86 Favored Pre-proline 0 C--N 1.318 -0.761 0 N-CA-C 106.237 -1.764 . . . . 25.0 106.237 -175.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -69.9 -10.63 28.9 Favored 'Trans proline' 0 CA--C 1.538 0.676 0 C-N-CA 116.12 -2.12 . . . . 25.0 112.852 175.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 70.0 mt -79.85 -6.09 56.71 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 120.994 0.426 . . . . 25.0 110.509 177.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 135.65 169.86 11.94 Favored Glycine 0 N--CA 1.45 -0.373 0 CA-C-O 121.799 0.666 . . . . 25.0 112.641 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.1 t -95.86 138.29 33.71 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.594 -0.891 . . . . 25.0 108.594 177.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -131.13 20.45 4.88 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 106.901 -1.518 . . . . 25.0 106.901 178.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 85.1 p -78.11 158.95 28.93 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 115.531 -0.759 . . . . 25.0 110.589 -178.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -98.52 155.49 17.25 Favored 'General case' 0 C--O 1.241 0.637 0 CA-C-O 120.913 0.387 . . . . 50.0 110.692 178.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.4 mp -124.34 135.56 53.42 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 106.674 -1.602 . . . . 25.0 106.674 177.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 56.6 mt -107.93 145.04 15.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 N-CA-C 103.289 -2.856 . . . . 25.0 103.289 175.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 83.1 mt -110.61 136.69 49.33 Favored 'General case' 0 C--N 1.318 -0.782 0 O-C-N 123.851 0.719 . . . . 25.0 111.36 -172.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 65.78 -60.24 0.29 Allowed 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 126.316 1.847 . . . . 25.0 114.894 176.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 28.2 t80 59.2 131.48 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 117.484 2.402 . . . . 25.0 117.484 173.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -102.12 96.06 6.48 Favored Pre-proline 0 N--CA 1.473 0.713 0 O-C-N 121.29 -0.881 . . . . 25.0 109.43 176.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -68.94 -10.93 30.53 Favored 'Trans proline' 0 C--N 1.348 0.5 0 N-CA-C 115.135 1.167 . . . . 25.0 115.135 -176.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 41.0 t -79.38 -14.46 58.95 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 121.82 -0.55 . . . . 25.0 112.318 176.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -137.95 -33.29 0.71 Allowed 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 115.544 1.683 . . . . 25.0 115.544 -170.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -85.8 158.53 19.96 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 113.788 1.032 . . . . 50.0 113.788 -169.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 45.3 tptt -129.12 144.37 51.18 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.382 0.673 . . . . 25.0 111.478 -176.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 51.5 mt -127.08 127.01 69.15 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 N-CA-C 107.603 -1.258 . . . . 25.0 107.603 177.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -111.0 131.77 54.77 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.498 -0.556 . . . . 25.0 109.498 178.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 26.9 m -131.8 11.04 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 CA-C-O 121.639 0.733 . . . . 25.0 111.913 -176.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.66 -29.68 62.55 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 117.41 2.374 . . . . 25.0 117.41 -172.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -76.92 -10.94 59.71 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 113.786 1.032 . . . . 25.0 113.786 -178.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 21.8 mt -85.45 -43.71 13.37 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 106.134 -1.802 . . . . 25.0 106.134 179.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 81.19 144.17 4.05 Favored Glycine 0 C--O 1.221 -0.68 0 CA-C-N 114.272 -1.331 . . . . 25.0 112.356 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -149.52 138.15 20.92 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 106.978 -1.49 . . . . 25.0 106.978 178.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 8.4 tp -86.87 -11.61 11.0 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 CA-C-O 121.413 0.625 . . . . 25.0 110.783 -176.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -159.3 167.98 35.14 Favored Glycine 0 C--O 1.225 -0.465 0 N-CA-C 111.104 -0.798 . . . . 25.0 111.104 177.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 83.6 mt -122.62 3.37 9.58 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 114.098 1.148 . . . . 25.0 114.098 -174.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -146.06 58.32 0.5 Allowed Glycine 0 CA--C 1.519 0.324 0 N-CA-C 117.152 1.621 . . . . 25.0 117.152 -173.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -156.86 -47.96 0.07 Allowed 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 117.609 0.705 . . . . 25.0 112.135 175.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 100.66 1.0 55.33 Favored Glycine 0 C--O 1.236 0.25 0 N-CA-C 116.279 1.271 . . . . 25.0 116.279 171.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -133.08 158.82 41.82 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.676 0.238 . . . . 25.0 110.384 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 53.73 43.53 30.92 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 113.236 0.828 . . . . 25.0 113.236 176.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 87.03 3.47 82.78 Favored Glycine 0 C--O 1.236 0.221 0 C-N-CA 120.973 -0.632 . . . . 25.0 114.101 173.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 72.1 p -100.28 141.45 33.11 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 106.96 -1.496 . . . . 25.0 106.96 176.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 13.5 mt -82.58 160.65 22.49 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 121.841 -0.537 . . . . 25.0 111.906 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -154.37 167.66 29.23 Favored 'General case' 0 C--O 1.242 0.678 0 N-CA-C 104.841 -2.281 . . . . 25.0 104.841 166.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 10.7 p -116.99 149.44 19.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 107.416 -1.328 . . . . 25.0 107.416 177.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 24.8 m -140.94 161.98 36.56 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 107.326 -1.361 . . . . 25.0 107.326 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 77.6 mt -130.42 160.65 33.4 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.152 -1.055 . . . . 25.0 108.152 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 29.6 p -78.74 167.46 21.17 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 106.857 -1.534 . . . . 25.0 106.857 171.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.18 -14.2 60.03 Favored 'General case' 0 C--O 1.218 -0.568 0 N-CA-C 113.709 1.003 . . . . 25.0 113.709 -177.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 18.5 p30 -112.91 2.29 15.8 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.282 -0.636 . . . . 25.0 109.282 -177.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 70.58 2.59 44.35 Favored Glycine 0 C--O 1.227 -0.282 0 N-CA-C 114.377 0.511 . . . . 25.0 114.377 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 91.9 mt -81.15 -9.64 59.77 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 113.361 0.875 . . . . 25.0 113.361 -174.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -136.17 151.28 49.57 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.064 -1.087 . . . . 25.0 108.064 177.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 26.1 m -133.67 146.66 51.07 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 106.758 -1.571 . . . . 25.0 106.758 -176.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -133.81 148.67 51.36 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.508 -0.552 . . . . 25.0 109.508 -177.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 8.1 mp -120.75 120.31 35.28 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 103.794 -2.669 . . . . 25.0 103.794 174.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -128.86 154.6 46.32 Favored 'General case' 0 CA--C 1.507 -0.704 0 O-C-N 123.115 0.259 . . . . 25.0 111.117 -174.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 90.6 p -140.47 -19.46 0.86 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 116.159 1.911 . . . . 25.0 116.159 -177.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 16.4 t80 42.45 45.84 3.93 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-O 121.477 0.656 . . . . 25.0 111.868 -172.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -65.68 141.98 58.18 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-O 121.308 0.575 . . . . 25.0 110.881 -178.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -153.13 36.62 0.48 Allowed 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 114.725 -1.125 . . . . 25.0 108.511 178.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -50.12 -40.0 44.79 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 112.903 0.705 . . . . 25.0 112.903 -176.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -155.1 -39.1 0.09 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.525 0.565 . . . . 25.0 112.525 176.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -97.07 -4.93 38.63 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 114.335 1.235 . . . . 25.0 114.335 -174.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 64.93 37.49 94.35 Favored Glycine 0 N--CA 1.461 0.327 0 C-N-CA 120.543 -0.837 . . . . 25.0 112.288 -178.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 24.9 mmt85 -117.67 109.65 16.91 Favored 'General case' 0 C--O 1.215 -0.713 0 N-CA-C 109.083 -0.71 . . . . 25.0 109.083 -179.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 15.4 m -78.38 132.9 37.55 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.391 -0.368 . . . . 25.0 111.504 -176.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -99.31 106.08 18.15 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.85 -0.796 . . . . 25.0 108.85 177.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -133.09 154.55 50.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.166 -0.47 . . . . 25.0 110.156 -172.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.5 mp -134.7 168.01 19.79 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 109.243 -0.651 . . . . 25.0 109.243 -179.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -144.04 157.51 44.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.972 0.415 . . . . 25.0 110.609 176.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 41.1 mt -131.97 122.01 24.86 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 105.442 -2.058 . . . . 25.0 105.442 176.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -113.22 131.36 55.93 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 108.397 -0.964 . . . . 25.0 108.397 -178.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 83.25 8.2 85.65 Favored Glycine 0 C--O 1.221 -0.712 0 N-CA-C 110.739 -0.944 . . . . 25.0 110.739 -177.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -57.35 137.92 55.5 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.369 0.877 . . . . 25.0 113.369 -174.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 80.5 m80 -76.91 68.19 3.05 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.9 0.857 . . . . 25.0 109.829 171.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -62.76 -27.41 69.27 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.111 -0.95 . . . . 25.0 109.927 179.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.22 -26.56 67.82 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.825 -0.625 . . . . 25.0 111.855 177.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 46.4 p -124.25 21.09 8.85 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 112.782 0.66 . . . . 25.0 112.782 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.8 pp -64.2 149.36 48.05 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 122.064 -0.397 . . . . 25.0 110.998 -177.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 75.1 m -141.32 150.18 42.16 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.087 0.47 . . . . 25.0 110.111 178.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.91 -8.94 48.87 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 113.151 0.797 . . . . 25.0 113.151 -177.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -67.5 -22.74 73.38 Favored Glycine 0 CA--C 1.52 0.355 0 C-N-CA 121.027 -0.606 . . . . 25.0 112.895 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -66.26 -27.84 68.26 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 114.853 1.427 . . . . 25.0 114.853 -176.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 43.3 pt -92.0 154.33 3.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 O-C-N 121.838 -0.539 . . . . 25.0 111.092 -176.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 11.0 p -57.92 -31.74 41.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 N-CA-C 113.015 0.746 . . . . 25.0 113.015 -176.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -71.57 -36.34 70.87 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 122.132 -0.355 . . . . 25.0 111.441 -177.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . 49.67 -157.12 0.09 Allowed 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.835 0.854 . . . . 25.0 112.246 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . 52.77 10.69 0.16 Allowed 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 118.678 2.844 . . . . 25.0 118.678 172.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -76.03 92.29 3.16 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 118.75 0.705 . . . . 25.0 110.706 -179.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 9.4 t -72.65 147.29 89.26 Favored Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 109.051 -0.722 . . . . 25.0 109.051 177.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -68.87 152.8 73.62 Favored 'Trans proline' 0 C--O 1.24 0.605 0 C-N-CA 115.219 -2.721 . . . . 25.0 110.711 174.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.41 0 N-CA-C 105.451 -3.06 . . . . 25.0 105.451 -179.942 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 206' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.513 0 CA-C-O 118.271 -0.871 . . . . 25.0 109.58 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 50.02 -172.26 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.934 0 O-C-N 124.862 1.351 . . . . 25.0 113.23 -173.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -96.23 171.21 28.0 Favored Glycine 0 N--CA 1.452 -0.279 0 CA-C-O 121.904 0.724 . . . . 25.0 114.272 -175.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.5 t -140.6 -163.43 1.53 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 105.208 -2.145 . . . . 25.0 105.208 178.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -69.16 155.46 40.35 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 119.191 0.905 . . . . 25.0 109.182 176.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 92.04 -177.91 40.16 Favored Glycine 0 C--O 1.235 0.17 0 N-CA-C 109.487 -1.445 . . . . 25.0 109.487 -173.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -93.64 127.63 39.41 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 117.75 0.775 . . . . 25.0 109.812 -175.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -119.64 153.25 35.8 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 120.695 0.283 . . . . 50.0 110.722 -178.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 65.6 t -123.65 111.21 28.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 104.941 -2.244 . . . . 25.0 104.941 171.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 49.7 mt -115.7 135.0 54.48 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.741 -0.837 . . . . 25.0 108.741 -173.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 46.4 mm -125.29 136.95 59.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 105.498 -2.038 . . . . 25.0 105.498 -176.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -90.18 178.65 43.44 Favored Glycine 0 N--CA 1.452 -0.241 0 CA-C-O 121.708 0.616 . . . . 25.0 113.417 -177.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 98.2 p -126.31 178.16 6.0 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.034 -0.728 . . . . 25.0 109.034 179.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -59.79 -41.34 90.95 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 114.474 1.287 . . . . 25.0 114.474 -176.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.4 m -71.04 164.88 3.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.874 0.368 . . . . 25.0 111.615 -177.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -69.67 139.27 31.38 Favored Glycine 0 CA--C 1.517 0.211 0 N-CA-C 110.926 -0.87 . . . . 25.0 110.926 177.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -139.67 164.35 30.16 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.282 0.563 . . . . 50.0 112.007 -173.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -129.79 113.99 15.38 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 105.511 -2.033 . . . . 25.0 105.511 175.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 55.8 mt -132.78 124.85 51.54 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 CA-C-O 120.763 0.316 . . . . 25.0 110.933 -172.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 91.0 p -113.71 146.74 39.37 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.633 -0.506 . . . . 25.0 109.633 174.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -91.95 -22.48 30.36 Favored Glycine 0 C--O 1.238 0.398 0 C-N-CA 120.869 -0.681 . . . . 25.0 114.277 -178.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.9 -159.38 53.57 Favored Glycine 0 C--O 1.245 0.797 0 C-N-CA 120.91 -0.662 . . . . 25.0 112.095 -177.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.88 172.09 10.55 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 109.073 -0.714 . . . . 25.0 109.073 178.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.76 171.81 48.53 Favored Glycine 0 C--O 1.242 0.619 0 CA-C-N 116.283 -0.417 . . . . 25.0 112.174 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -90.55 112.82 24.65 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 107.128 -1.434 . . . . 25.0 107.128 -178.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -118.67 157.58 27.16 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 113.96 1.096 . . . . 50.0 113.96 -172.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.7 mtp180 -112.94 133.91 54.69 Favored 'General case' 0 CA--C 1.505 -0.753 0 N-CA-C 105.184 -2.154 . . . . 25.0 105.184 168.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.4 mp -129.71 148.73 51.62 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 107.11 -1.441 . . . . 25.0 107.11 178.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -146.11 144.6 30.1 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 105.651 -1.981 . . . . 25.0 105.651 175.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -105.46 -21.29 8.88 Favored Glycine 0 N--CA 1.451 -0.321 0 O-C-N 123.516 0.51 . . . . 25.0 112.053 -178.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 66.37 -153.86 52.02 Favored Glycine 0 C--O 1.242 0.635 0 N-CA-C 111.021 -0.832 . . . . 25.0 111.021 -175.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.32 175.72 7.38 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 122.221 -0.576 . . . . 25.0 109.964 178.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 76.85 166.77 25.54 Favored Glycine 0 C--O 1.238 0.378 0 N-CA-C 111.447 -0.661 . . . . 25.0 111.447 -177.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -83.27 135.48 34.74 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 106.886 -1.524 . . . . 25.0 106.886 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -135.96 153.41 51.41 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 113.331 0.863 . . . . 50.0 113.331 -173.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.0 mp -111.27 125.81 54.22 Favored 'General case' 0 C--O 1.239 0.548 0 N-CA-C 106.651 -1.611 . . . . 25.0 106.651 176.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.6 mp -130.37 124.68 32.76 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 112.333 0.494 . . . . 25.0 112.333 -176.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -116.32 128.78 55.85 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-O 121.144 0.497 . . . . 25.0 110.404 178.465 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -80.4 -43.64 9.28 Favored Glycine 0 C--O 1.248 0.999 0 N-CA-C 115.998 1.159 . . . . 25.0 115.998 -175.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.03 -174.7 54.38 Favored Glycine 0 C--O 1.247 0.944 0 N-CA-C 111.403 -0.679 . . . . 25.0 111.403 -177.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.48 162.6 10.01 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 122.406 -0.467 . . . . 25.0 110.399 177.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.19 174.88 46.48 Favored Glycine 0 N--CA 1.461 0.323 0 N-CA-C 110.364 -1.094 . . . . 25.0 110.364 -177.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.7 ptp85 -100.83 124.29 46.27 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 106.935 -1.505 . . . . 25.0 106.935 179.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -123.56 158.62 30.99 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.14 -0.482 . . . . 50.0 112.206 -168.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -124.63 112.62 17.0 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 106.841 -1.54 . . . . 25.0 106.841 175.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.7 mp -110.98 137.54 48.49 Favored 'General case' 0 C--O 1.209 -1.034 0 N-CA-C 108.638 -0.875 . . . . 25.0 108.638 -175.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.2 m -124.18 125.44 44.45 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 107.502 -1.295 . . . . 25.0 107.502 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -84.94 -40.56 8.03 Favored Glycine 0 C--O 1.239 0.407 0 C-N-CA 119.608 -1.282 . . . . 25.0 113.561 -176.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.0 -165.17 54.8 Favored Glycine 0 C--O 1.243 0.659 0 N-CA-C 110.45 -1.06 . . . . 25.0 110.45 -176.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 89.5 mt -63.35 157.52 22.83 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 122.472 -0.428 . . . . 25.0 110.523 178.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 90.51 170.99 43.76 Favored Glycine 0 C--O 1.248 0.993 0 CA-C-N 115.548 -0.751 . . . . 25.0 111.543 -178.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.89 124.6 32.55 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 107.008 -1.478 . . . . 25.0 107.008 178.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -121.33 139.78 52.97 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.509 -0.552 . . . . 50.0 109.509 -175.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.2 t -116.17 130.13 56.65 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.303 -0.999 . . . . 25.0 108.303 178.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -110.8 128.15 55.65 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 106.144 -1.798 . . . . 25.0 106.144 -177.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 56.5 ttt-85 -127.75 146.16 50.67 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.442 0.639 . . . . 25.0 112.142 -171.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -71.87 148.59 45.99 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.662 -0.866 . . . . 25.0 108.662 170.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -98.79 -38.21 9.15 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 106.003 -1.851 . . . . 25.0 106.003 168.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 52.7 tp -140.76 158.67 43.63 Favored 'General case' 0 C--O 1.221 -0.43 0 N-CA-C 105.632 -1.988 . . . . 25.0 105.632 175.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 40.8 ptt180 -60.7 -23.76 65.13 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 121.456 0.646 . . . . 25.0 111.968 178.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -80.6 2.11 26.99 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 122.118 -0.364 . . . . 25.0 111.653 -177.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -60.19 -31.67 70.36 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 111.888 0.329 . . . . 25.0 111.888 178.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 57.2 p -139.73 91.16 2.45 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.385 0.612 . . . . 25.0 112.042 -177.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 36.6 p-80 -148.12 163.71 36.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 122.14 -0.35 . . . . 25.0 110.785 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 10.9 mtm180 -133.55 160.3 37.87 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.081 -0.711 . . . . 25.0 109.081 177.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 96.4 p -152.15 166.5 15.16 Favored Pre-proline 0 C--N 1.32 -0.695 0 N-CA-C 106.469 -1.678 . . . . 25.0 106.469 -177.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -70.31 -9.67 26.42 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 115.901 -2.266 . . . . 25.0 112.726 175.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 68.3 mt -86.12 -5.83 59.13 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 122.65 0.38 . . . . 25.0 110.812 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 142.77 169.61 12.4 Favored Glycine 0 C--O 1.236 0.278 0 CA-C-O 121.859 0.7 . . . . 25.0 113.021 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.5 t -100.22 143.64 30.17 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.742 -0.466 . . . . 25.0 109.742 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -134.8 19.11 3.52 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 105.775 -1.935 . . . . 25.0 105.775 175.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 41.8 t -75.4 157.2 34.53 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.634 -1.166 . . . . 25.0 108.82 -179.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -109.07 151.35 26.5 Favored 'General case' 0 CA--C 1.503 -0.858 0 CA-C-O 121.372 0.606 . . . . 50.0 110.377 -179.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.5 mp -118.7 135.26 54.58 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 105.842 -1.91 . . . . 25.0 105.842 -179.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 41.2 mt -107.98 137.11 41.03 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.726 0 N-CA-C 103.702 -2.703 . . . . 25.0 103.702 172.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 60.5 mt -108.26 144.08 36.23 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 115.151 -0.932 . . . . 25.0 109.122 -173.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 54.98 47.06 23.0 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 124.478 1.111 . . . . 25.0 109.529 176.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -70.79 130.0 40.55 Favored 'General case' 0 C--O 1.241 0.652 0 CA-C-N 114.792 -1.095 . . . . 25.0 113.472 -174.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -97.3 99.61 6.5 Favored Pre-proline 0 N--CA 1.469 0.497 0 CA-C-N 115.647 -0.706 . . . . 25.0 110.384 176.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -69.84 -11.24 30.33 Favored 'Trans proline' 0 CA--C 1.534 0.51 0 C-N-CA 116.463 -1.892 . . . . 25.0 113.505 178.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.5 t -84.64 -9.08 58.6 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 116.335 -0.393 . . . . 25.0 111.808 178.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -139.66 -34.27 0.57 Allowed 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 115.208 1.559 . . . . 25.0 115.208 -172.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -95.3 150.95 19.69 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.681 0.623 . . . . 50.0 112.681 -168.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 42.3 tptt -133.68 150.7 51.54 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.947 -0.57 . . . . 25.0 110.494 -174.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 15.0 mt -126.98 121.73 58.71 Favored 'Isoleucine or valine' 0 C--O 1.242 0.663 0 CA-C-O 121.314 0.578 . . . . 25.0 111.599 -179.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.45 119.52 25.23 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.278 -1.378 . . . . 25.0 107.278 176.011 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 31.0 m -132.67 17.71 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 CA-C-O 121.451 0.644 . . . . 25.0 111.876 -176.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.9 t -57.23 -36.97 71.56 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 114.194 1.183 . . . . 25.0 114.194 -174.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.51 -17.36 64.15 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 115.24 1.57 . . . . 25.0 115.24 -176.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 30.1 mt -71.17 -45.6 63.14 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 106.706 -1.59 . . . . 25.0 106.706 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 81.72 143.01 3.96 Favored Glycine 0 C--O 1.225 -0.459 0 CA-C-N 113.484 -1.689 . . . . 25.0 112.262 179.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -142.85 140.69 31.37 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.17 -1.048 . . . . 25.0 108.17 179.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 13.6 tt -92.76 -9.99 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.394 0.616 . . . . 25.0 110.876 -176.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -153.38 169.47 32.17 Favored Glycine 0 C--O 1.226 -0.383 0 C-N-CA 121.01 -0.614 . . . . 25.0 112.211 -178.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 83.1 mt -68.92 -18.53 64.12 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 114.946 1.462 . . . . 25.0 114.946 -173.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 141.0 98.58 0.35 Allowed Glycine 0 C--O 1.224 -0.508 0 N-CA-C 115.606 1.003 . . . . 25.0 115.606 -179.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -131.39 -4.77 3.79 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 110.086 -0.339 . . . . 25.0 110.086 175.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 79.24 3.58 88.53 Favored Glycine 0 C--O 1.236 0.229 0 N-CA-C 116.439 1.336 . . . . 25.0 116.439 179.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.421 ' HA ' ' HB3' ' A' ' 119' ' ' TYR . 58.5 m-85 -137.91 150.48 47.12 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 117.257 0.528 . . . . 25.0 111.341 -177.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 53.34 44.95 29.4 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 114.176 1.176 . . . . 25.0 114.176 173.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.06 32.09 21.53 Favored Glycine 0 N--CA 1.454 -0.121 0 C-N-CA 120.418 -0.896 . . . . 25.0 113.461 176.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 59.7 p -135.49 146.56 48.27 Favored 'General case' 0 C--O 1.218 -0.565 0 N-CA-C 105.787 -1.931 . . . . 25.0 105.787 177.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 61.7 mt -86.34 153.76 21.71 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 116.528 2.047 . . . . 25.0 116.528 -172.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -136.06 159.6 41.2 Favored 'General case' 0 C--O 1.241 0.642 0 N-CA-C 104.164 -2.532 . . . . 25.0 104.164 167.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 11.2 p -124.23 153.28 30.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 107.883 -1.154 . . . . 25.0 107.883 -178.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 44.7 m -144.53 157.02 44.42 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 107.539 -1.282 . . . . 25.0 107.539 176.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 57.5 mt -130.25 162.13 29.64 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.437 -0.579 . . . . 25.0 109.437 -178.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 87.8 p -79.5 172.02 14.36 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 106.788 -1.56 . . . . 25.0 106.788 170.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -54.67 -34.51 62.37 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 114.582 1.327 . . . . 25.0 114.582 -176.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -104.25 7.63 35.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.274 0.559 . . . . 25.0 110.753 -176.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 71.33 5.81 60.22 Favored Glycine 0 C--O 1.225 -0.462 0 CA-C-N 116.222 -0.444 . . . . 25.0 113.835 -177.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 96.4 mt -76.56 -9.13 58.44 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 113.883 1.068 . . . . 25.0 113.883 -175.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 89.9 mtt-85 -139.49 148.64 42.95 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 106.245 -1.761 . . . . 25.0 106.245 178.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 15.2 m -133.95 148.45 51.17 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.224 -0.658 . . . . 25.0 109.224 -176.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -135.32 147.65 49.22 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.526 -0.546 . . . . 25.0 109.526 -178.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 68.0 mt -128.29 137.08 51.81 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.307 -0.627 . . . . 25.0 109.307 179.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.4 tmtp? -135.41 127.72 30.21 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-O 119.082 -0.485 . . . . 25.0 110.463 -177.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 20.4 t -100.56 -28.81 12.68 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 112.912 0.708 . . . . 25.0 112.912 178.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.421 ' HB3' ' HA ' ' A' ' 99' ' ' TYR . 30.6 t80 51.09 52.39 15.05 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-O 122.256 1.027 . . . . 25.0 111.116 -179.476 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -67.44 150.84 48.37 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.503 -1.226 . . . . 25.0 108.353 178.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -134.97 14.13 3.6 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.838 0.827 . . . . 25.0 111.191 -176.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -66.95 -32.34 73.52 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 114.263 -1.335 . . . . 25.0 111.691 -175.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -142.23 99.96 3.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.761 -0.654 . . . . 25.0 110.693 -179.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 52.0 28.65 5.44 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 114.247 1.202 . . . . 25.0 114.247 175.375 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 63.89 22.83 66.92 Favored Glycine 0 CA--C 1.521 0.418 0 N-CA-C 114.771 0.669 . . . . 25.0 114.771 178.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 26.0 mmt85 -78.74 145.12 34.63 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 104.234 -2.506 . . . . 25.0 104.234 176.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 35.7 t -134.72 146.86 49.84 Favored 'General case' 0 CA--C 1.513 -0.459 0 N-CA-C 115.007 1.484 . . . . 25.0 115.007 -174.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -82.36 126.53 32.28 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 107.287 -1.375 . . . . 25.0 107.287 173.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -145.35 147.97 32.87 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 107.819 -1.178 . . . . 25.0 107.819 -174.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 6.9 mt -136.2 163.06 31.25 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 122.691 0.396 . . . . 25.0 110.085 -176.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -144.82 152.71 40.72 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 109.562 -0.533 . . . . 25.0 109.562 177.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 78.1 mt -132.81 144.64 50.37 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 106.592 -1.632 . . . . 25.0 106.592 177.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -129.06 155.54 45.26 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 107.407 -1.331 . . . . 25.0 107.407 177.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 72.21 28.64 67.78 Favored Glycine 0 CA--C 1.509 -0.337 0 N-CA-C 111.456 -0.658 . . . . 25.0 111.456 176.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 29.1 m120 -69.59 142.85 53.46 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.499 0.666 . . . . 25.0 111.593 -177.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 65.2 m80 -75.64 92.08 2.92 Favored 'General case' 0 C--O 1.214 -0.771 0 N-CA-C 107.135 -1.432 . . . . 25.0 107.135 170.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -60.86 -31.27 70.73 Favored 'General case' 0 C--O 1.22 -0.496 0 N-CA-C 109.212 -0.662 . . . . 25.0 109.212 177.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.91 -28.82 69.79 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.216 -0.902 . . . . 25.0 111.875 178.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 64.1 p -130.51 30.28 4.72 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 113.138 0.792 . . . . 25.0 113.138 -178.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.0 pp -62.68 147.74 48.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.377 0.608 . . . . 25.0 111.42 -175.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 43.9 t -155.47 154.08 31.29 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.399 -0.963 . . . . 25.0 108.399 -177.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -94.1 -7.27 42.98 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-O 121.118 0.485 . . . . 25.0 111.164 178.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -80.05 14.51 20.4 Favored Glycine 0 CA--C 1.522 0.481 0 N-CA-C 115.89 1.116 . . . . 25.0 115.89 -174.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 57.0 m-20 -68.07 -25.48 65.37 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 113.219 0.822 . . . . 25.0 113.219 -176.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 48.5 pt -83.04 158.26 3.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 121.968 -0.457 . . . . 25.0 111.281 -177.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 10.4 p -58.7 -33.23 48.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 113.732 1.012 . . . . 25.0 113.732 -177.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -70.95 -34.47 71.48 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 122.044 -0.41 . . . . 25.0 111.472 -179.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . 50.26 -159.42 0.08 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.763 0.825 . . . . 25.0 111.787 -177.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . 56.79 1.02 0.08 Allowed 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 117.477 2.399 . . . . 25.0 117.477 176.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -65.89 142.62 57.84 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.752 -0.462 . . . . 25.0 109.752 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 7.3 t -69.07 146.82 97.44 Favored Pre-proline 0 C--N 1.322 -0.627 0 N-CA-C 107.03 -1.47 . . . . 25.0 107.03 178.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -73.53 175.01 11.25 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 116.916 -1.589 . . . . 25.0 111.999 178.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.452 0 N-CA-C 105.814 -2.914 . . . . 25.0 105.814 177.62 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 206' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 118.358 -0.829 . . . . 25.0 109.397 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 22.1 pt20 47.35 -162.71 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.911 0 O-C-N 124.676 1.235 . . . . 25.0 111.535 -172.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -90.2 162.38 29.63 Favored Glycine 0 N--CA 1.449 -0.483 0 CA-C-O 121.939 0.744 . . . . 25.0 113.849 -174.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.1 t -136.52 -170.51 2.69 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 105.422 -2.066 . . . . 25.0 105.422 178.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -70.64 145.87 50.37 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 121.218 -0.926 . . . . 25.0 109.252 177.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 101.27 -176.35 26.62 Favored Glycine 0 C--N 1.323 -0.185 0 N-CA-C 109.615 -1.394 . . . . 25.0 109.615 -172.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 62.3 m-20 -90.8 131.08 36.67 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 118.318 1.059 . . . . 25.0 110.082 -175.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -124.53 154.02 41.22 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.173 0.511 . . . . 50.0 111.421 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 93.5 t -125.54 114.24 38.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 104.554 -2.387 . . . . 25.0 104.554 171.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 44.5 mt -122.26 138.43 54.5 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.756 -0.831 . . . . 25.0 108.756 -173.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 39.8 mm -128.14 130.86 69.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 107.668 -1.234 . . . . 25.0 107.668 -177.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -90.56 175.39 40.6 Favored Glycine 0 C--O 1.229 -0.171 0 CA-C-O 121.774 0.652 . . . . 25.0 113.099 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 91.0 p -122.62 -179.53 4.25 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 123.415 0.686 . . . . 25.0 109.793 -179.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -67.15 -27.09 67.01 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 115.421 1.638 . . . . 25.0 115.421 -176.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.7 m -76.06 165.97 2.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 C-N-CA 120.916 -0.314 . . . . 25.0 110.388 -179.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.1 137.55 28.31 Favored Glycine 0 C--O 1.234 0.122 0 N-CA-C 110.393 -1.083 . . . . 25.0 110.393 176.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -140.64 166.67 24.12 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.427 0.632 . . . . 50.0 111.999 -174.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -132.11 116.99 17.74 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 105.016 -2.216 . . . . 25.0 105.016 175.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.3 mt -135.56 116.57 19.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.132 0.491 . . . . 25.0 110.646 -173.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 98.6 p -107.4 147.46 30.36 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.661 -0.866 . . . . 25.0 108.661 175.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -94.75 -23.26 21.39 Favored Glycine 0 N--CA 1.458 0.148 0 C-N-CA 121.083 -0.58 . . . . 25.0 114.101 -178.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.94 -160.47 54.06 Favored Glycine 0 C--O 1.243 0.7 0 C-N-CA 120.891 -0.671 . . . . 25.0 111.601 -177.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.86 173.93 8.48 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 121.921 -0.752 . . . . 25.0 109.449 178.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.74 170.95 47.17 Favored Glycine 0 C--O 1.241 0.565 0 CA-C-N 116.582 -0.281 . . . . 25.0 113.512 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -84.55 113.09 20.99 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.54 -0.911 . . . . 25.0 108.54 -178.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -118.41 160.68 21.27 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 113.88 1.067 . . . . 50.0 113.88 -174.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -123.41 127.45 48.45 Favored 'General case' 0 CA--C 1.51 -0.594 0 N-CA-C 104.105 -2.554 . . . . 25.0 104.105 170.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.3 mp -127.93 146.44 50.64 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 106.795 -1.557 . . . . 25.0 106.795 -178.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -140.99 141.06 34.43 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 105.043 -2.206 . . . . 25.0 105.043 175.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -103.36 -23.28 8.53 Favored Glycine 0 N--CA 1.447 -0.591 0 N-CA-C 111.899 -0.48 . . . . 25.0 111.899 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 65.84 -158.14 47.64 Favored Glycine 0 C--O 1.24 0.522 0 C-N-CA 120.652 -0.785 . . . . 25.0 111.517 -175.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.69 173.51 8.92 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.968 -0.725 . . . . 25.0 110.049 178.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.92 166.64 36.05 Favored Glycine 0 C--O 1.237 0.34 0 CA-C-N 115.892 -0.595 . . . . 25.0 112.045 -178.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -81.79 130.15 34.97 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 107.062 -1.459 . . . . 25.0 107.062 -178.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -134.19 152.44 51.83 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 113.794 1.035 . . . . 50.0 113.794 -173.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.8 mp -112.63 118.3 34.67 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.183 -1.414 . . . . 25.0 107.183 176.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.6 mp -125.21 124.87 42.66 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 112.52 0.563 . . . . 25.0 112.52 -175.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -116.7 124.82 50.62 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-O 121.095 0.474 . . . . 25.0 110.906 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -78.73 -44.03 10.96 Favored Glycine 0 C--O 1.243 0.698 0 N-CA-C 115.255 0.862 . . . . 25.0 115.255 -177.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.63 -171.01 47.87 Favored Glycine 0 C--O 1.245 0.805 0 C-N-CA 121.171 -0.537 . . . . 25.0 112.793 -178.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.86 158.51 21.84 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 122.542 -0.387 . . . . 25.0 111.193 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.29 171.86 45.59 Favored Glycine 0 N--CA 1.464 0.514 0 N-CA-C 109.754 -1.338 . . . . 25.0 109.754 -175.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.9 ptp85 -95.67 130.09 42.67 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 107.521 -1.288 . . . . 25.0 107.521 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -130.35 164.22 25.16 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 112.509 0.559 . . . . 50.0 112.509 -168.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.8 mpt_? -131.78 126.07 33.49 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 105.262 -2.125 . . . . 25.0 105.262 178.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.6 mp -127.36 102.18 6.79 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 123.463 0.477 . . . . 25.0 111.568 -172.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 31.7 m -87.99 117.9 27.17 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.813 -0.439 . . . . 25.0 109.813 179.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -84.98 -43.13 6.84 Favored Glycine 0 C--O 1.241 0.553 0 C-N-CA 120.123 -1.037 . . . . 25.0 112.083 -178.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 69.17 -162.05 51.84 Favored Glycine 0 C--O 1.24 0.514 0 C-N-CA 121.098 -0.572 . . . . 25.0 111.832 -178.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 95.5 mt -64.58 156.85 28.6 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 122.229 -0.571 . . . . 25.0 110.95 179.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.17 164.62 32.31 Favored Glycine 0 C--O 1.243 0.703 0 CA-C-N 115.251 -0.886 . . . . 25.0 111.127 -178.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.89 110.57 19.51 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 106.409 -1.7 . . . . 25.0 106.409 178.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -110.39 148.63 31.62 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.182 -0.463 . . . . 50.0 109.89 -173.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.8 t -124.54 139.53 53.79 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 121.757 0.789 . . . . 25.0 108.934 175.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -121.58 128.02 51.53 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 106.445 -1.687 . . . . 25.0 106.445 -177.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 56.8 ttt85 -126.02 145.59 50.24 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.949 0.881 . . . . 25.0 112.64 -171.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -73.65 150.92 41.0 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 114.747 -1.115 . . . . 25.0 109.29 175.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -110.85 -40.01 4.66 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 106.42 -1.696 . . . . 25.0 106.42 168.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 41.4 tp -142.72 153.88 43.76 Favored 'General case' 0 C--O 1.221 -0.405 0 N-CA-C 108.324 -0.991 . . . . 25.0 108.324 178.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 38.2 ptt180 -61.01 -24.96 66.56 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 121.649 0.738 . . . . 25.0 112.783 178.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -83.71 1.74 41.16 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.215 0.531 . . . . 25.0 111.355 -175.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -67.47 -23.2 65.47 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 122.085 -0.384 . . . . 25.0 110.753 178.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.3 m -125.32 42.54 3.26 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 113.473 0.916 . . . . 25.0 113.473 -174.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 59.0 t60 -100.44 142.29 32.12 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 113.32 0.859 . . . . 25.0 113.32 -176.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 30.1 mtm180 -135.86 155.09 50.84 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 108.105 -1.072 . . . . 25.0 108.105 173.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 82.0 p -146.92 168.41 11.47 Favored Pre-proline 0 C--N 1.325 -0.476 0 N-CA-C 105.758 -1.941 . . . . 25.0 105.758 178.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_endo -69.82 -11.24 30.36 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 115.449 -2.567 . . . . 25.0 113.462 178.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 78.2 mt -85.52 -7.32 58.95 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.6 0.238 . . . . 25.0 111.043 179.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 153.53 167.21 15.56 Favored Glycine 0 C--O 1.229 -0.176 0 C-N-CA 120.792 -0.718 . . . . 25.0 113.669 178.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.2 t -103.91 144.52 31.41 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.349 -0.611 . . . . 25.0 109.349 178.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -134.08 11.63 3.91 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 106.712 -1.588 . . . . 25.0 106.712 177.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.6 t -92.09 177.36 6.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.736 -1.12 . . . . 25.0 111.104 -175.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -116.17 158.26 23.55 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.818 -0.628 . . . . 50.0 112.683 -171.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.9 mp -119.79 135.21 54.95 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 106.794 -1.558 . . . . 25.0 106.794 173.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 53.8 mt -105.41 141.88 19.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 N-CA-C 104.205 -2.517 . . . . 25.0 104.205 174.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -117.89 142.11 47.69 Favored 'General case' 0 C--N 1.314 -0.947 0 N-CA-C 108.326 -0.99 . . . . 25.0 108.326 -175.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 56.24 46.45 21.23 Favored 'General case' 0 C--O 1.248 0.98 0 CA-C-O 121.921 0.867 . . . . 25.0 110.368 177.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -83.03 128.86 34.86 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.884 -1.053 . . . . 25.0 109.594 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -99.59 103.48 21.58 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-N 115.701 -0.681 . . . . 25.0 109.807 179.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -69.95 7.01 1.15 Allowed 'Trans proline' 0 CA--C 1.541 0.838 0 N-CA-C 115.512 1.312 . . . . 25.0 115.512 179.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 10.7 t -110.36 -6.2 15.04 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 115.983 -0.553 . . . . 25.0 111.172 177.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -141.7 -34.86 0.46 Allowed 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 114.079 1.14 . . . . 25.0 114.079 -174.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -88.6 158.73 18.17 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.01 0.433 . . . . 50.0 111.047 -173.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 46.9 tptt -132.94 146.8 52.11 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 116.504 -0.316 . . . . 25.0 111.238 -178.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 19.3 mt -123.63 112.14 32.0 Favored 'Isoleucine or valine' 0 C--O 1.243 0.735 0 N-CA-C 109.116 -0.698 . . . . 25.0 109.116 175.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -79.62 121.02 24.76 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 106.841 -1.54 . . . . 25.0 106.841 176.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 17.0 m -130.37 26.6 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 CA-C-O 121.622 0.725 . . . . 25.0 111.552 -175.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.23 -29.58 68.84 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 114.316 1.228 . . . . 25.0 114.316 -175.419 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -74.19 -19.68 60.46 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 113.033 0.753 . . . . 25.0 113.033 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 14.4 mt -84.08 -28.76 27.34 Favored 'General case' 0 C--O 1.216 -0.698 0 N-CA-C 106.232 -1.766 . . . . 25.0 106.232 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 62.74 48.23 82.87 Favored Glycine 0 C--O 1.223 -0.587 0 CA-C-N 113.77 -1.559 . . . . 25.0 116.926 166.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -65.28 105.36 1.1 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 117.573 0.686 . . . . 25.0 109.742 177.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 16.2 tt -90.44 -18.73 7.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.09 -0.505 . . . . 25.0 111.238 -174.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.616 ' HA3' HG22 ' A' ' 102' ' ' THR . . . -114.35 148.05 18.8 Favored Glycine 0 CA--C 1.51 -0.278 0 C-N-CA 120.811 -0.709 . . . . 25.0 113.227 -179.495 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 64.7 mt -59.65 -33.51 71.62 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 114.431 1.271 . . . . 25.0 114.431 -174.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 172.57 159.27 18.76 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.495 -0.86 . . . . 25.0 113.423 178.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.5 t30 154.71 -43.1 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 127.697 2.399 . . . . 25.0 107.654 177.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 105.78 -1.75 38.92 Favored Glycine 0 N--CA 1.46 0.261 0 CA-C-N 116.229 -0.441 . . . . 25.0 114.145 175.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -139.71 159.44 42.17 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.316 -0.994 . . . . 25.0 108.316 178.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 58.13 48.73 12.47 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.807 0.843 . . . . 25.0 112.495 -178.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 74.2 27.0 66.99 Favored Glycine 0 C--N 1.329 0.192 0 C-N-CA 121.044 -0.598 . . . . 25.0 114.262 174.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.616 HG22 ' HA3' ' A' ' 94' ' ' GLY . 44.0 p -126.5 157.21 39.29 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.829 -1.175 . . . . 25.0 107.829 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.8 mt -97.59 161.52 13.73 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 114.887 1.44 . . . . 25.0 114.887 -174.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -147.45 150.87 35.44 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 104.515 -2.402 . . . . 25.0 104.515 171.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 7.1 p -135.18 154.84 36.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 110.162 -0.31 . . . . 25.0 110.162 -175.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 46.4 m -147.43 160.75 42.21 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.03 -1.1 . . . . 25.0 108.03 177.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 25.5 mt -132.8 159.06 40.86 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.486 -0.931 . . . . 25.0 108.486 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 99.0 p -80.01 170.45 16.45 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.222 -1.399 . . . . 25.0 107.222 172.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -55.86 -34.89 65.87 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 114.161 1.171 . . . . 25.0 114.161 -176.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -102.84 5.62 38.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.393 0.616 . . . . 25.0 110.475 -175.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 72.27 4.09 59.07 Favored Glycine 0 C--O 1.224 -0.493 0 CA-C-N 116.063 -0.517 . . . . 25.0 113.614 -177.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 97.1 mt -70.65 -15.08 62.7 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 113.273 0.842 . . . . 25.0 113.273 -175.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 41.2 mtt85 -137.86 148.61 45.56 Favored 'General case' 0 CA--C 1.51 -0.569 0 N-CA-C 108.834 -0.802 . . . . 25.0 108.834 177.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 7.2 m -126.49 147.58 49.81 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 106.707 -1.59 . . . . 25.0 106.707 178.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -134.37 145.26 48.8 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 107.639 -1.245 . . . . 25.0 107.639 179.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.8 mp -133.41 145.96 50.77 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.378 -0.601 . . . . 25.0 109.378 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -138.15 131.78 30.93 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.374 -0.375 . . . . 25.0 110.686 178.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 32.4 t -141.61 102.57 4.21 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 107.494 -1.299 . . . . 25.0 107.494 169.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -79.31 130.78 35.79 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 105.517 -2.031 . . . . 25.0 105.517 177.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -120.12 150.89 39.88 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.435 -0.95 . . . . 25.0 108.435 -177.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -132.79 13.27 4.39 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 113.374 0.879 . . . . 25.0 113.374 -177.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -104.27 -42.58 5.46 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 108.393 -0.966 . . . . 25.0 108.393 179.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -82.38 56.92 3.43 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.966 -1.016 . . . . 25.0 110.591 177.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? 60.43 28.61 18.27 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-O 121.524 0.678 . . . . 25.0 112.803 176.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 71.97 19.94 78.61 Favored Glycine 0 CA--C 1.522 0.481 0 C-N-CA 120.591 -0.814 . . . . 25.0 114.346 177.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -85.77 101.93 13.22 Favored 'General case' 0 C--O 1.217 -0.633 0 O-C-N 122.18 -0.6 . . . . 25.0 111.181 -176.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.8 p -62.17 132.32 52.4 Favored 'General case' 0 C--O 1.243 0.753 0 CA-C-N 116.267 -0.424 . . . . 25.0 110.916 176.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -103.69 107.89 18.94 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 107.18 -1.415 . . . . 25.0 107.18 177.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 -129.64 135.08 48.1 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 107.818 -1.178 . . . . 25.0 107.818 -175.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.4 mp -130.72 168.13 17.69 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 122.36 0.264 . . . . 25.0 110.635 -171.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -146.11 151.78 38.23 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.109 -1.071 . . . . 25.0 108.109 175.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 39.2 mt -136.67 142.65 43.19 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 107.205 -1.405 . . . . 25.0 107.205 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -122.01 148.11 45.23 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.299 -1.0 . . . . 25.0 108.299 178.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 67.11 48.92 57.07 Favored Glycine 0 C--O 1.223 -0.568 0 C-N-CA 120.718 -0.753 . . . . 25.0 113.718 174.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -97.16 145.42 26.04 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 122.147 -0.619 . . . . 25.0 109.969 -179.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 72.8 m80 -76.95 91.39 3.59 Favored 'General case' 0 C--O 1.216 -0.661 0 N-CA-C 109.042 -0.725 . . . . 25.0 109.042 172.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -62.52 -27.16 68.97 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.856 -0.794 . . . . 25.0 108.856 175.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.34 -26.9 68.12 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.545 -0.752 . . . . 25.0 111.472 176.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 73.2 p -126.73 30.02 5.58 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 112.421 0.526 . . . . 25.0 112.421 179.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.1 pp -62.34 147.26 48.85 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.455 0.645 . . . . 25.0 111.22 -178.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 40.5 t -155.3 151.06 27.54 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.024 -0.732 . . . . 25.0 109.024 -179.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -79.65 -12.51 59.82 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 121.456 0.646 . . . . 25.0 111.085 176.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -71.54 1.45 28.45 Favored Glycine 0 CA--C 1.52 0.403 0 N-CA-C 116.89 1.516 . . . . 25.0 116.89 -173.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -70.32 -20.3 63.01 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 117.846 0.823 . . . . 25.0 112.659 -179.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 27.1 pt -76.88 152.22 5.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.134 0.492 . . . . 25.0 111.146 -177.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 7.5 p -64.62 -25.31 37.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 N-CA-C 112.72 0.637 . . . . 25.0 112.72 -177.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -74.22 -28.68 61.36 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 122.165 -0.334 . . . . 25.0 111.792 -175.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . 52.04 -156.79 0.14 Allowed 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.549 0.739 . . . . 25.0 112.447 178.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . 55.46 16.88 1.97 Allowed 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 116.193 1.923 . . . . 25.0 116.193 176.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -67.76 140.03 56.67 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.651 -0.5 . . . . 25.0 109.651 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 10.9 t -76.12 144.59 75.58 Favored Pre-proline 0 C--N 1.321 -0.656 0 N-CA-C 107.894 -1.15 . . . . 25.0 107.894 177.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -74.61 143.82 30.97 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 116.107 -2.129 . . . . 25.0 112.378 179.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 N-CA-C 107.651 -2.18 . . . . 25.0 107.651 179.792 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 206' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 118.355 -0.831 . . . . 25.0 109.568 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 64.44 161.98 0.12 Allowed 'General case' 0 N--CA 1.478 0.926 0 O-C-N 124.89 1.369 . . . . 25.0 112.164 -176.189 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -102.89 -178.12 26.73 Favored Glycine 0 N--CA 1.453 -0.193 0 CA-C-N 116.277 -0.419 . . . . 25.0 113.609 -176.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.478 HG23 ' H ' ' A' ' 6' ' ' GLY . 6.5 t -107.39 -173.62 2.33 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 106.487 -1.672 . . . . 25.0 106.487 177.303 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -84.7 4.3 33.28 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 120.946 -1.096 . . . . 25.0 112.447 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.478 ' H ' HG23 ' A' ' 4' ' ' THR . . . -86.82 -164.06 39.48 Favored Glycine 0 C--N 1.32 -0.34 0 N-CA-C 108.764 -1.735 . . . . 25.0 108.764 170.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 53.5 m-20 -87.37 136.64 32.86 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 118.431 1.116 . . . . 25.0 108.443 177.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -134.3 154.64 51.19 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 121.24 0.543 . . . . 50.0 112.018 -177.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 99.3 t -124.5 114.14 39.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 104.989 -2.226 . . . . 25.0 104.989 171.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 45.2 mt -121.52 131.0 53.9 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.144 -1.058 . . . . 25.0 108.144 -174.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 83.0 mt -132.62 127.08 55.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 107.528 -1.286 . . . . 25.0 107.528 -179.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -91.11 -173.52 43.67 Favored Glycine 0 N--CA 1.452 -0.267 0 CA-C-O 121.629 0.572 . . . . 25.0 113.135 -178.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 83.7 p -123.26 -168.31 1.75 Allowed 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 123.439 0.695 . . . . 25.0 109.491 -178.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -76.21 -16.39 59.85 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 114.877 1.436 . . . . 25.0 114.877 -174.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.2 m -81.03 166.62 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 109.083 -0.71 . . . . 25.0 109.083 178.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.99 134.41 18.51 Favored Glycine 0 N--CA 1.454 -0.125 0 N-CA-C 110.458 -1.057 . . . . 25.0 110.458 178.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -140.3 161.74 36.96 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 117.311 0.556 . . . . 50.0 112.226 -173.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -117.01 121.37 41.16 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 105.49 -2.041 . . . . 25.0 105.49 172.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 59.0 mt -126.65 118.69 51.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 108.082 -1.081 . . . . 25.0 108.082 -175.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.1 m -117.46 127.11 53.69 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.045 -0.525 . . . . 25.0 109.866 -178.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.1 -30.9 18.79 Favored Glycine 0 CA--C 1.517 0.174 0 C-N-CA 121.03 -0.605 . . . . 25.0 114.445 -176.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 74.38 -161.64 53.77 Favored Glycine 0 C--O 1.243 0.674 0 CA-C-N 117.504 0.652 . . . . 25.0 111.744 -178.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.68 178.22 3.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 121.837 -0.802 . . . . 25.0 109.064 177.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.52 171.63 41.9 Favored Glycine 0 C--O 1.243 0.674 0 C-N-CA 121.041 -0.6 . . . . 25.0 112.026 -178.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -86.79 124.07 32.63 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.079 -1.082 . . . . 25.0 108.079 -178.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -130.85 149.9 52.26 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.97 1.1 . . . . 50.0 113.97 -173.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 -108.22 127.64 54.02 Favored 'General case' 0 CA--C 1.506 -0.722 0 N-CA-C 104.875 -2.268 . . . . 25.0 104.875 163.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.7 mp -115.74 142.95 46.06 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 103.269 -2.863 . . . . 25.0 103.269 172.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.438 ' HA ' ' HB ' ' A' ' 47' ' ' THR . 13.9 t0 -142.55 132.5 24.35 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 104.878 -2.267 . . . . 25.0 104.878 176.329 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -101.94 -22.8 9.72 Favored Glycine 0 C--N 1.318 -0.452 0 N-CA-C 114.183 0.433 . . . . 25.0 114.183 -172.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 64.7 -157.57 45.08 Favored Glycine 0 C--O 1.245 0.831 0 C-N-CA 120.513 -0.851 . . . . 25.0 111.365 -175.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.06 175.24 7.63 Favored 'General case' 0 C--O 1.243 0.729 0 O-C-N 121.992 -0.711 . . . . 25.0 110.548 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.26 166.49 34.25 Favored Glycine 0 C--O 1.238 0.347 0 N-CA-C 110.621 -0.992 . . . . 25.0 110.621 -177.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -82.64 136.78 34.69 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 107.138 -1.43 . . . . 25.0 107.138 -179.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -138.06 153.88 49.31 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 113.649 0.981 . . . . 50.0 113.649 -172.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.4 mp -111.37 126.87 55.38 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 106.533 -1.654 . . . . 25.0 106.533 176.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.1 mp -129.36 109.97 11.53 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 112.788 0.662 . . . . 25.0 112.788 -175.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -95.35 116.48 28.84 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 109.84 -0.43 . . . . 25.0 109.84 178.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -70.35 -52.06 19.0 Favored Glycine 0 C--O 1.247 0.917 0 C-N-CA 120.396 -0.906 . . . . 25.0 113.965 -178.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.81 174.71 45.23 Favored Glycine 0 C--O 1.237 0.307 0 O-C-N 122.334 -0.51 . . . . 25.0 112.292 -178.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.43 156.22 8.21 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 122.034 -0.686 . . . . 25.0 110.305 179.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.27 168.82 40.41 Favored Glycine 0 C--O 1.242 0.644 0 N-CA-C 111.026 -0.83 . . . . 25.0 111.026 -176.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.9 ptp85 -88.4 129.6 35.38 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 107.309 -1.367 . . . . 25.0 107.309 -179.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -130.12 160.07 34.87 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 112.981 0.734 . . . . 50.0 112.981 -171.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? -122.39 112.4 18.04 Favored 'General case' 0 CA--C 1.512 -0.512 0 N-CA-C 106.249 -1.759 . . . . 25.0 106.249 176.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.1 mp -110.81 100.29 9.06 Favored 'General case' 0 C--N 1.321 -0.66 0 O-C-N 123.172 0.295 . . . . 25.0 110.212 -174.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.438 ' HB ' ' HA ' ' A' ' 29' ' ' ASP . 20.5 m -91.3 114.75 27.36 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.081 -0.711 . . . . 25.0 109.081 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -83.08 -40.97 8.86 Favored Glycine 0 C--O 1.237 0.331 0 C-N-CA 119.798 -1.191 . . . . 25.0 112.759 -177.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.47 ' H ' ' HB2' ' A' ' 77' ' ' ASP . . . 72.68 -163.62 54.78 Favored Glycine 0 C--O 1.242 0.642 0 N-CA-C 111.136 -0.786 . . . . 25.0 111.136 -177.427 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 89.2 mt -64.08 156.63 27.67 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 120.958 0.409 . . . . 25.0 110.527 177.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 92.5 168.28 39.87 Favored Glycine 0 C--O 1.247 0.915 0 CA-C-N 115.359 -0.837 . . . . 25.0 111.166 -179.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -82.95 123.18 29.18 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 106.854 -1.535 . . . . 25.0 106.854 178.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -120.65 141.41 50.39 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 109.556 -0.535 . . . . 50.0 109.556 -175.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.8 t -114.93 122.68 47.03 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 107.847 -1.168 . . . . 25.0 107.847 177.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -104.84 129.54 53.14 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 105.982 -1.858 . . . . 25.0 105.982 -177.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.6 ttt180 -131.81 148.06 52.53 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 114.405 1.261 . . . . 25.0 114.405 -169.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 41.9 p90 -78.07 160.78 27.88 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.043 -0.981 . . . . 25.0 108.697 172.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -128.45 -2.11 5.55 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 109.646 -0.502 . . . . 25.0 109.646 166.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 28.6 tp -154.97 163.36 40.42 Favored 'General case' 0 C--O 1.218 -0.59 0 N-CA-C 107.384 -1.339 . . . . 25.0 107.384 -179.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 40.5 ptt180 -75.46 -17.65 60.09 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 118.775 0.716 . . . . 25.0 111.505 175.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -100.09 13.76 32.99 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 121.859 0.838 . . . . 25.0 110.36 -177.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -57.88 -31.54 66.82 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.299 -0.864 . . . . 25.0 112.348 -178.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 29.1 p -138.77 85.08 2.05 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.993 -0.743 . . . . 25.0 108.993 -179.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -134.23 150.44 51.03 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 116.343 -0.39 . . . . 25.0 110.197 -172.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 77.8 mtt180 -133.11 143.67 49.44 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.585 0.707 . . . . 25.0 110.772 176.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 18.9 t -146.2 156.63 50.32 Favored Pre-proline 0 C--N 1.323 -0.585 0 N-CA-C 105.285 -2.116 . . . . 25.0 105.285 -177.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -67.19 -14.72 44.14 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 115.731 -2.38 . . . . 25.0 112.79 175.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 84.5 mt -81.59 -3.9 54.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.765 0.317 . . . . 25.0 111.39 177.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 152.26 151.11 5.55 Favored Glycine 0 N--CA 1.451 -0.335 0 CA-C-O 121.605 0.559 . . . . 25.0 113.079 179.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.1 t -100.12 143.74 29.96 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.692 -0.855 . . . . 25.0 108.692 178.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -133.58 19.15 3.91 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 107.49 -1.3 . . . . 25.0 107.49 179.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 68.6 p -70.91 154.09 42.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.663 -0.699 . . . . 25.0 110.385 -178.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -105.83 155.42 19.33 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.193 0.52 . . . . 50.0 111.605 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 65.5 tp -121.09 131.34 54.21 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 106.493 -1.669 . . . . 25.0 106.493 175.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 44.5 mt -107.95 146.69 13.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 N-CA-C 104.046 -2.575 . . . . 25.0 104.046 177.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.405 ' HB2' ' HA ' ' A' ' 47' ' ' THR . 2.4 mm? -124.89 148.61 48.2 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 106.754 -1.572 . . . . 25.0 106.754 -176.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.47 ' HB2' ' H ' ' A' ' 49' ' ' GLY . 59.2 m-20 57.53 44.19 21.53 Favored 'General case' 0 C--O 1.245 0.838 0 O-C-N 124.172 0.92 . . . . 25.0 110.337 178.329 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -79.77 124.27 28.45 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.881 0.848 . . . . 25.0 110.536 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -105.02 94.23 7.44 Favored Pre-proline 0 C--N 1.318 -0.768 0 CA-C-N 114.749 -1.114 . . . . 25.0 108.687 178.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.413 ' HD2' ' HB2' ' A' ' 136' ' ' HIS . 38.7 Cg_endo -61.41 -16.46 47.42 Favored 'Trans proline' 0 CA--C 1.535 0.559 0 N-CA-C 115.131 1.166 . . . . 25.0 115.131 -179.34 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.7 t -77.56 -10.93 59.77 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 113.143 0.794 . . . . 25.0 113.143 175.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -140.51 -38.2 0.45 Allowed 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 115.037 1.495 . . . . 25.0 115.037 -173.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -79.45 159.01 27.19 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.278 0.561 . . . . 50.0 112.003 -172.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.404 ' HE3' ' HA ' ' A' ' 146' ' ' VAL . 32.6 tptt -133.46 149.19 51.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.017 -0.538 . . . . 25.0 111.061 -177.31 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 49.4 mt -124.96 118.02 51.87 Favored 'Isoleucine or valine' 0 C--O 1.24 0.605 0 N-CA-C 109.351 -0.611 . . . . 25.0 109.351 176.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -87.78 130.95 34.69 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-O 122.11 0.957 . . . . 25.0 108.58 176.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.7 m -138.23 20.99 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.944 0 CA-C-N 113.937 -1.483 . . . . 25.0 110.459 -176.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.8 t -53.22 -37.4 61.99 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 113.909 1.077 . . . . 25.0 113.909 -174.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -75.86 -6.55 51.32 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 113.834 1.05 . . . . 25.0 113.834 179.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 9.9 mt -103.6 -40.22 6.4 Favored 'General case' 0 C--O 1.219 -0.528 0 N-CA-C 107.593 -1.262 . . . . 25.0 107.593 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 76.95 -8.85 27.82 Favored Glycine 0 C--O 1.227 -0.303 0 CA-C-N 114.775 -1.102 . . . . 25.0 115.843 175.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -66.81 129.88 41.32 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 117.391 0.596 . . . . 25.0 110.711 -177.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 4.7 tp -143.09 -41.45 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 N-CA-C 112.715 0.635 . . . . 25.0 112.715 -178.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -63.6 147.3 50.64 Favored Glycine 0 C--O 1.217 -0.947 0 N-CA-C 109.733 -1.347 . . . . 25.0 109.733 178.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 88.0 mt -111.88 9.91 20.67 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 117.951 0.875 . . . . 25.0 112.066 -175.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -65.32 -42.96 95.84 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 120.022 2.769 . . . . 25.0 120.022 -169.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -132.44 -25.33 1.95 Allowed 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 116.645 2.091 . . . . 25.0 116.645 -171.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 82.35 8.72 85.93 Favored Glycine 0 C--N 1.323 -0.148 0 C-N-CA 120.666 -0.778 . . . . 25.0 111.618 -174.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -141.36 168.19 20.36 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 106.893 -1.521 . . . . 25.0 106.893 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 53.26 44.38 30.24 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.248 0.619 . . . . 25.0 112.562 177.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 82.79 0.19 89.98 Favored Glycine 0 CA--C 1.517 0.188 0 C-N-CA 120.796 -0.716 . . . . 25.0 114.828 176.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 51.8 p -102.31 162.52 12.85 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.658 -0.868 . . . . 25.0 108.658 176.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.1 mt -104.45 170.45 7.89 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 107.495 -1.298 . . . . 25.0 107.495 178.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -137.36 140.57 41.51 Favored 'General case' 0 C--N 1.317 -0.807 1 N-CA-C 100.179 -4.008 . . . . 25.0 100.179 167.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 12.2 p -125.91 146.04 32.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 N-CA-C 107.765 -1.198 . . . . 25.0 107.765 -176.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 65.4 p -147.11 165.89 28.59 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 107.88 -1.156 . . . . 25.0 107.88 -177.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 69.0 mt -130.98 164.96 24.21 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.838 -0.801 . . . . 25.0 108.838 -177.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 84.6 p -74.89 171.24 14.38 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 106.302 -1.74 . . . . 25.0 106.302 168.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.49 -26.42 61.27 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 113.706 1.002 . . . . 25.0 113.706 -178.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -102.11 -1.17 32.1 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.322 0.582 . . . . 25.0 110.339 -174.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 74.48 0.43 58.14 Favored Glycine 0 CA--C 1.521 0.416 0 CA-C-N 115.926 -0.579 . . . . 25.0 112.731 -174.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 92.7 mt -76.38 -10.25 59.26 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 113.96 1.096 . . . . 25.0 113.96 -173.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 29.9 mtt85 -136.52 149.47 48.15 Favored 'General case' 0 CA--C 1.508 -0.638 0 N-CA-C 106.716 -1.587 . . . . 25.0 106.716 177.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 13.5 m -129.19 141.87 51.03 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.871 -0.789 . . . . 25.0 108.871 -178.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -127.69 134.6 49.59 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 107.941 -1.133 . . . . 25.0 107.941 178.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 5.6 mp -123.49 128.43 49.78 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.675 -1.232 . . . . 25.0 107.675 -176.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -131.3 133.75 45.68 Favored 'General case' 0 C--O 1.214 -0.79 0 N-CA-C 109.725 -0.472 . . . . 25.0 109.725 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 27.3 t -136.1 164.55 27.76 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 106.081 -1.822 . . . . 25.0 106.081 175.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -152.11 136.5 16.77 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 107.911 -1.144 . . . . 25.0 107.911 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -119.71 149.37 42.12 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.343 -0.984 . . . . 25.0 108.343 177.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -139.89 15.5 2.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.916 0.389 . . . . 25.0 111.98 173.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -77.68 -39.11 45.98 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 107.843 -1.169 . . . . 25.0 107.843 179.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -146.61 15.03 1.24 Allowed 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.657 0.614 . . . . 25.0 112.657 179.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -132.74 -65.05 0.73 Allowed 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 115.049 1.5 . . . . 25.0 115.049 -176.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 77.1 34.46 41.64 Favored Glycine 0 C--N 1.316 -0.557 0 N-CA-C 108.698 -1.761 . . . . 25.0 108.698 -172.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 25.7 mmt180 -133.48 157.35 45.84 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 120.915 0.388 . . . . 25.0 111.958 -173.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 50.1 m -90.77 146.83 23.65 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.526 -0.761 . . . . 25.0 110.057 177.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -130.43 116.66 18.55 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 105.52 -2.03 . . . . 25.0 105.52 176.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -138.44 146.82 42.57 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.272 0.471 . . . . 25.0 112.272 -165.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 5.1 mp -138.88 165.26 27.52 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 107.684 -1.228 . . . . 25.0 107.684 -179.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -144.55 151.69 39.46 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.64 -0.504 . . . . 25.0 109.64 175.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 45.4 mt -125.1 128.89 49.16 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 107.327 -1.36 . . . . 25.0 107.327 177.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -112.48 147.34 36.74 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 106.985 -1.487 . . . . 25.0 106.985 174.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 77.38 29.32 56.22 Favored Glycine 0 C--O 1.223 -0.591 0 N-CA-C 109.719 -1.352 . . . . 25.0 109.719 -178.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -69.07 117.05 10.23 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.061 0.458 . . . . 25.0 111.654 -178.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . 0.413 ' HB2' ' HD2' ' A' ' 80' ' ' PRO . 76.2 m80 -80.62 78.72 7.34 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.429 0.633 . . . . 25.0 109.716 174.504 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -61.54 -26.59 68.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.778 -0.646 . . . . 25.0 109.649 176.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.72 -25.82 67.66 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 115.877 -0.601 . . . . 25.0 110.969 176.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 68.0 p -119.69 35.18 4.93 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 111.499 0.185 . . . . 25.0 111.499 178.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.8 pp -56.84 154.72 8.84 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 121.626 0.727 . . . . 25.0 112.603 -176.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 41.2 t -149.57 150.47 32.3 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.685 -0.688 . . . . 25.0 109.902 -178.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -88.66 1.8 54.4 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-O 121.466 0.65 . . . . 25.0 109.608 176.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -99.7 10.27 60.72 Favored Glycine 0 C--O 1.221 -0.665 0 N-CA-C 116.012 1.165 . . . . 25.0 116.012 -175.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -62.51 -43.0 99.89 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 118.819 1.31 . . . . 25.0 112.159 -176.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 58.7 mt -73.31 143.97 13.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 107.385 -1.339 . . . . 25.0 107.385 -177.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.404 ' HA ' ' HE3' ' A' ' 84' ' ' LYS . 10.6 p -52.99 -34.55 20.92 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 N-CA-C 113.468 0.914 . . . . 25.0 113.468 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -75.01 -17.77 60.47 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.822 0.675 . . . . 25.0 112.822 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . 58.33 -166.37 0.16 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.357 1.063 . . . . 25.0 111.402 -175.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . 55.22 23.3 5.35 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 114.448 1.277 . . . . 25.0 114.448 179.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -81.28 62.17 5.08 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 121.256 0.551 . . . . 25.0 110.843 -179.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 10.7 t -76.3 143.19 72.61 Favored Pre-proline 0 C--N 1.321 -0.631 0 N-CA-C 108.065 -1.087 . . . . 25.0 108.065 -179.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -75.11 168.58 24.44 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 117.594 -1.137 . . . . 25.0 112.468 179.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.258 0 N-CA-C 105.479 -3.048 . . . . 25.0 105.479 177.721 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 206' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.661 0 CA-C-O 118.825 -0.607 . . . . 25.0 109.993 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 48.31 90.83 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 116.763 2.134 . . . . 25.0 116.763 177.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.1 167.43 45.55 Favored Glycine 0 C--N 1.323 -0.174 0 N-CA-C 110.753 -0.939 . . . . 25.0 110.753 174.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 71.4 p -87.26 -175.22 5.21 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.315 -0.624 . . . . 25.0 109.315 178.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -87.47 6.13 35.55 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.953 0.882 . . . . 25.0 111.041 173.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -89.22 -160.32 36.34 Favored Glycine 0 C--N 1.323 -0.193 0 N-CA-C 108.952 -1.659 . . . . 25.0 108.952 173.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -94.84 121.83 36.84 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 107.752 -1.203 . . . . 25.0 107.752 177.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -124.51 156.99 36.36 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.321 0.582 . . . . 50.0 111.989 -174.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 94.0 t -123.99 114.64 42.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 105.219 -2.141 . . . . 25.0 105.219 170.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.4 mt -113.98 142.32 46.3 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.471 -0.937 . . . . 25.0 108.471 -176.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.493 ' HA ' ' HB3' ' A' ' 29' ' ' ASP . 36.7 mm -125.84 136.69 60.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 107.203 -1.406 . . . . 25.0 107.203 -178.045 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -94.09 -179.34 38.59 Favored Glycine 0 C--O 1.23 -0.156 0 C-N-CA 121.077 -0.582 . . . . 25.0 112.751 179.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 81.2 p -132.84 179.28 6.26 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.243 -1.021 . . . . 25.0 108.243 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -70.75 -24.53 62.63 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 114.884 1.439 . . . . 25.0 114.884 -174.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.5 m -76.98 165.8 2.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.824 -0.435 . . . . 25.0 109.824 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.6 138.11 26.9 Favored Glycine 0 C--N 1.325 -0.083 0 N-CA-C 110.32 -1.112 . . . . 25.0 110.32 177.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -140.29 163.07 33.75 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 112.862 0.69 . . . . 50.0 112.862 -173.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.2 tm0? -119.84 120.82 37.61 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 104.287 -2.486 . . . . 25.0 104.287 172.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 55.9 mt -132.98 105.53 8.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 122.484 1.135 . . . . 25.0 109.998 -177.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.5 p -93.06 139.81 30.15 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-N 114.476 -1.238 . . . . 25.0 108.753 176.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -97.32 -24.57 12.3 Favored Glycine 0 CA--C 1.517 0.165 0 N-CA-C 114.409 0.524 . . . . 25.0 114.409 -178.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.13 -168.43 52.17 Favored Glycine 0 C--O 1.244 0.761 0 CA-C-N 117.324 0.562 . . . . 25.0 112.749 -178.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.96 -179.32 1.84 Allowed 'General case' 0 CA--C 1.538 0.497 0 O-C-N 122.037 -0.684 . . . . 25.0 109.203 176.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.74 171.03 41.42 Favored Glycine 0 C--O 1.241 0.575 0 C-N-CA 121.089 -0.577 . . . . 25.0 112.031 -178.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -93.09 119.42 32.29 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.001 -1.111 . . . . 25.0 108.001 -178.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -127.51 163.27 24.5 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 114.613 1.338 . . . . 50.0 114.613 -170.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 78.1 ttt-85 -116.44 132.62 56.62 Favored 'General case' 0 CA--C 1.51 -0.558 0 N-CA-C 105.535 -2.024 . . . . 25.0 105.535 162.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.2 mp -121.08 149.69 42.34 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 104.753 -2.314 . . . . 25.0 104.753 176.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.493 ' HB3' ' HA ' ' A' ' 11' ' ' ILE . 8.2 t70 -146.18 139.0 25.57 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 104.945 -2.243 . . . . 25.0 104.945 179.014 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -106.16 -19.24 10.24 Favored Glycine 0 C--O 1.226 -0.398 0 O-C-N 123.503 0.502 . . . . 25.0 113.989 -176.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 64.3 -158.48 42.44 Favored Glycine 0 C--O 1.245 0.813 0 N-CA-C 111.43 -0.668 . . . . 25.0 111.43 -175.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.23 175.61 7.42 Favored 'General case' 0 C--O 1.242 0.703 0 O-C-N 121.995 -0.709 . . . . 25.0 109.997 178.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 78.6 167.96 32.98 Favored Glycine 0 C--O 1.24 0.521 0 N-CA-C 111.558 -0.617 . . . . 25.0 111.558 -178.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -81.88 139.53 34.63 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 107.087 -1.449 . . . . 25.0 107.087 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -141.13 153.43 45.38 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 113.712 1.004 . . . . 50.0 113.712 -173.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.3 mp -114.82 116.33 28.41 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 107.447 -1.316 . . . . 25.0 107.447 177.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.5 mp -122.7 134.25 54.47 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 111.732 0.271 . . . . 25.0 111.732 -176.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -115.48 127.06 55.05 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 109.245 -0.65 . . . . 25.0 109.245 177.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -76.75 -46.69 10.8 Favored Glycine 0 C--O 1.246 0.892 0 C-N-CA 119.931 -1.128 . . . . 25.0 113.409 -178.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.48 -177.88 52.34 Favored Glycine 0 C--O 1.245 0.821 0 N-CA-C 110.103 -1.199 . . . . 25.0 110.103 -175.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.53 162.8 9.79 Favored 'General case' 0 C--O 1.244 0.814 0 N-CA-C 109.779 -0.452 . . . . 25.0 109.779 177.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 86.29 170.0 46.5 Favored Glycine 0 C--O 1.238 0.349 0 N-CA-C 110.523 -1.031 . . . . 25.0 110.523 -176.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.8 ptt180 -91.26 136.23 33.24 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 106.605 -1.628 . . . . 25.0 106.605 179.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -133.34 157.28 45.9 Favored 'General case' 0 C--N 1.317 -0.825 0 O-C-N 122.16 -0.337 . . . . 50.0 111.567 -172.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -118.26 105.18 11.5 Favored 'General case' 0 C--O 1.22 -0.493 0 N-CA-C 106.829 -1.545 . . . . 25.0 106.829 175.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.7 mp -104.37 102.7 12.37 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 122.366 0.267 . . . . 25.0 110.983 -174.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.0 m -89.61 113.53 24.99 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.504 -0.554 . . . . 25.0 109.504 -179.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -83.73 -43.1 7.42 Favored Glycine 0 C--O 1.246 0.847 0 C-N-CA 120.058 -1.068 . . . . 25.0 113.123 -176.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.43 -161.39 53.52 Favored Glycine 0 C--O 1.241 0.565 0 C-N-CA 121.045 -0.597 . . . . 25.0 111.611 -178.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 86.7 mt -63.52 155.45 29.34 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.107 0.48 . . . . 25.0 111.101 179.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 92.44 166.55 39.19 Favored Glycine 0 C--O 1.244 0.769 0 CA-C-N 115.186 -0.915 . . . . 25.0 111.266 -179.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -84.27 118.15 24.0 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 107.053 -1.462 . . . . 25.0 107.053 178.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -116.37 139.7 50.13 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.48 -0.563 . . . . 50.0 109.48 -174.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.9 t -113.58 135.04 54.34 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.419 -0.956 . . . . 25.0 108.419 175.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -117.04 114.41 23.73 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 106.598 -1.63 . . . . 25.0 106.598 -177.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 43.3 ttt-85 -114.07 148.76 36.56 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.512 0.672 . . . . 25.0 112.173 -172.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 30.9 p90 -74.35 157.3 35.97 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.167 -1.049 . . . . 25.0 108.167 171.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -111.07 -42.42 3.96 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 107.264 -1.384 . . . . 25.0 107.264 169.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.3 mp -133.58 172.0 13.34 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 107.499 -1.297 . . . . 25.0 107.499 176.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 41.5 ptt180 -65.78 -15.3 62.74 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-O 121.587 0.708 . . . . 25.0 110.958 173.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -80.57 -0.98 40.14 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.37 -0.832 . . . . 25.0 111.987 -178.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.41 -31.91 72.67 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 113.144 0.794 . . . . 25.0 113.144 -176.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.1 m -150.54 98.28 2.62 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.566 0.698 . . . . 25.0 109.652 177.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -140.2 148.66 41.89 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.301 -1.0 . . . . 25.0 108.301 -174.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -136.03 142.19 44.41 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.263 -0.643 . . . . 25.0 109.263 175.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 87.7 p -150.72 168.41 11.07 Favored Pre-proline 0 C--N 1.322 -0.599 0 N-CA-C 104.701 -2.333 . . . . 25.0 104.701 178.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -70.44 -7.68 21.83 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 115.446 -2.569 . . . . 25.0 113.262 177.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 78.9 mt -90.36 -7.75 52.48 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.872 0.323 . . . . 25.0 111.872 179.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 164.88 157.63 9.8 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.365 -0.921 . . . . 25.0 114.464 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.8 t -115.93 124.81 51.5 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.813 0.816 . . . . 25.0 109.438 178.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -122.68 14.21 10.11 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.316 -0.994 . . . . 25.0 108.316 -176.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 55.0 p -67.36 139.83 57.21 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 115.193 -0.912 . . . . 25.0 110.718 -178.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -90.47 154.55 19.56 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.573 0.701 . . . . 50.0 112.517 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.28 130.84 55.62 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 106.156 -1.794 . . . . 25.0 106.156 176.432 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 38.7 mt -107.99 144.94 15.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 N-CA-C 104.358 -2.46 . . . . 25.0 104.358 176.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -122.9 144.1 49.44 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 108.456 -0.942 . . . . 25.0 108.456 -175.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 57.06 50.47 11.97 Favored 'General case' 0 C--O 1.242 0.707 0 O-C-N 124.387 1.054 . . . . 25.0 109.441 178.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -85.96 131.44 34.28 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.462 -1.245 . . . . 25.0 112.04 -176.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -104.58 96.6 10.58 Favored Pre-proline 0 C--N 1.324 -0.515 0 N-CA-C 108.894 -0.78 . . . . 25.0 108.894 178.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -64.17 -15.36 49.0 Favored 'Trans proline' 0 CA--C 1.533 0.467 0 N-CA-C 116.771 1.796 . . . . 25.0 116.771 -175.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 18.3 m -98.09 2.13 48.35 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 113.499 0.925 . . . . 25.0 113.499 175.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -135.6 -37.41 0.76 Allowed 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 113.744 1.016 . . . . 25.0 113.744 -177.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -80.9 172.8 13.29 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 110.122 -0.325 . . . . 50.0 110.122 -176.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 38.1 tptt -139.25 142.58 37.8 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 122.518 0.327 . . . . 25.0 110.77 -176.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 46.4 mt -125.73 115.41 43.06 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 N-CA-C 109.074 -0.713 . . . . 25.0 109.074 176.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.403 ' HA ' ' HB ' ' A' ' 146' ' ' VAL . 79.1 m-20 -97.5 111.12 23.52 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.27 0.557 . . . . 25.0 110.232 179.517 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 24.4 m -116.54 26.9 3.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 CA-C-O 122.11 0.957 . . . . 25.0 110.224 -179.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.38 19.91 0.06 Allowed 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 115.548 1.685 . . . . 25.0 115.548 -177.471 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.9 -34.9 79.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.352 0.596 . . . . 25.0 110.009 178.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 16.3 mt -127.61 -44.33 1.53 Allowed 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 106.775 -1.565 . . . . 25.0 106.775 177.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 91.14 161.02 37.0 Favored Glycine 0 C--O 1.227 -0.299 0 N-CA-C 108.369 -1.892 . . . . 25.0 108.369 -175.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -136.09 135.92 39.71 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.41 -0.959 . . . . 25.0 108.41 -178.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 14.3 tt -87.8 -9.62 10.95 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 CA-C-O 121.548 0.689 . . . . 25.0 111.385 -174.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -150.2 164.48 29.7 Favored Glycine 0 CA--C 1.509 -0.318 0 N-CA-C 110.13 -1.188 . . . . 25.0 110.13 179.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 55.1 mt -122.23 2.66 9.79 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 114.424 1.268 . . . . 25.0 114.424 -173.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -116.92 -28.51 2.43 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 119.221 2.449 . . . . 25.0 119.221 -174.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -89.53 -28.66 19.46 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 115.047 1.499 . . . . 25.0 115.047 -169.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 78.57 4.19 87.31 Favored Glycine 0 CA--C 1.519 0.34 0 N-CA-C 116.338 1.295 . . . . 25.0 116.338 177.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -141.48 167.43 22.18 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.553 -0.906 . . . . 25.0 108.553 -178.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 53.77 46.41 25.89 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 121.21 0.529 . . . . 25.0 112.349 178.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 74.78 26.87 66.07 Favored Glycine 0 C--O 1.229 -0.197 0 C-N-CA 120.523 -0.846 . . . . 25.0 114.115 176.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 47.0 p -124.81 160.49 28.61 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.173 -0.677 . . . . 25.0 109.173 176.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.7 mt -98.56 171.87 7.86 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.403 -0.962 . . . . 25.0 108.403 179.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -157.45 162.11 38.94 Favored 'General case' 0 C--O 1.24 0.567 0 N-CA-C 104.278 -2.489 . . . . 25.0 104.278 173.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 8.9 p -134.23 153.56 36.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 109.539 -0.541 . . . . 25.0 109.539 -179.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 50.9 m -144.35 159.08 43.32 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 106.76 -1.57 . . . . 25.0 106.76 177.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 48.0 mt -132.15 159.42 39.01 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.124 0.488 . . . . 25.0 110.785 -177.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 78.0 p -75.52 169.93 17.13 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 106.423 -1.695 . . . . 25.0 106.423 168.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -54.69 -35.09 63.22 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 114.573 1.323 . . . . 25.0 114.573 -176.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -103.63 3.52 34.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.76 0.791 . . . . 25.0 110.033 -174.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 72.75 -0.14 46.01 Favored Glycine 0 CA--C 1.522 0.495 0 CA-C-N 115.63 -0.713 . . . . 25.0 113.559 -175.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 89.6 mt -68.12 -19.82 64.86 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 112.958 0.725 . . . . 25.0 112.958 -175.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 83.4 mtm180 -131.73 148.98 52.62 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 107.211 -1.403 . . . . 25.0 107.211 175.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 16.0 m -133.54 152.42 51.9 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.566 -0.902 . . . . 25.0 108.566 -175.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -134.32 143.68 47.85 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 106.701 -1.592 . . . . 25.0 106.701 179.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.7 mp -124.52 139.48 53.84 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 106.13 -1.804 . . . . 25.0 106.13 -178.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.55 136.49 39.34 Favored 'General case' 0 C--O 1.218 -0.587 0 N-CA-C 112.105 0.409 . . . . 25.0 112.105 -175.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 30.1 t -148.28 160.89 42.51 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 107.897 -1.149 . . . . 25.0 107.897 175.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -150.72 139.15 20.45 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.663 -0.495 . . . . 25.0 109.663 179.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -114.68 140.92 48.45 Favored 'General case' 0 CA--C 1.505 -0.771 0 N-CA-C 106.902 -1.518 . . . . 25.0 106.902 173.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -142.64 15.4 1.97 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.255 0.55 . . . . 25.0 111.258 177.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.83 -31.2 51.51 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 107.999 -1.111 . . . . 25.0 107.999 -178.515 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -152.15 -34.6 0.13 Allowed 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 113.68 0.992 . . . . 25.0 113.68 178.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -88.03 -40.48 13.81 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.709 0.633 . . . . 25.0 112.709 -173.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 66.79 42.64 92.95 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 120.961 -0.638 . . . . 25.0 111.74 -178.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 83.5 mmt-85 -131.78 154.99 48.52 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 113.52 0.933 . . . . 25.0 113.52 -174.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.55 138.83 31.17 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.022 -0.99 . . . . 25.0 110.86 176.075 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -127.76 104.84 8.06 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 105.812 -1.921 . . . . 25.0 105.812 177.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 74.5 mt-10 -134.86 150.28 50.44 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.884 -0.413 . . . . 25.0 109.884 -168.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.7 mp -138.31 172.01 13.54 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 109.186 -0.672 . . . . 25.0 109.186 -176.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -144.54 156.81 44.33 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 120.668 0.27 . . . . 25.0 110.389 174.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 33.9 mt -130.37 130.78 44.82 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 106.566 -1.642 . . . . 25.0 106.566 176.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -118.73 146.15 44.98 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 105.618 -1.993 . . . . 25.0 105.618 174.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 74.73 37.1 46.16 Favored Glycine 0 C--O 1.226 -0.344 0 N-CA-C 108.943 -1.663 . . . . 25.0 108.943 -176.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -82.77 123.76 29.63 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.244 -0.478 . . . . 25.0 110.905 -178.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 73.9 m80 -80.39 75.86 7.21 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.248 0.547 . . . . 25.0 110.197 175.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -61.72 -26.67 68.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.861 -0.609 . . . . 25.0 110.528 177.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.53 -23.54 66.0 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 116.252 -0.431 . . . . 25.0 110.474 175.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 70.3 p -116.55 27.23 9.32 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 112.086 0.402 . . . . 25.0 112.086 177.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.1 pp -59.5 142.19 53.08 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 122.096 0.95 . . . . 25.0 112.284 -174.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 31.2 t -156.12 154.3 30.69 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 104.78 -2.304 . . . . 25.0 104.78 178.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -95.05 -1.4 52.3 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.722 0.296 . . . . 25.0 110.841 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -63.6 -18.4 61.36 Favored Glycine 0 CA--C 1.521 0.435 0 N-CA-C 115.451 0.94 . . . . 25.0 115.451 -176.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 17.2 p30 -71.03 -13.5 62.01 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 114.351 1.241 . . . . 25.0 114.351 -178.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 10.8 pt -78.92 144.27 11.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 121.531 -0.73 . . . . 25.0 110.212 -179.045 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.403 ' HB ' ' HA ' ' A' ' 86' ' ' ASP . 8.2 p -60.73 -25.91 36.63 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 N-CA-C 112.399 0.518 . . . . 25.0 112.399 -179.14 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -74.28 -21.13 59.89 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 113.328 0.862 . . . . 25.0 113.328 -177.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . 52.51 -152.98 0.24 Allowed 'General case' 0 CA--C 1.54 0.565 0 O-C-N 123.646 0.591 . . . . 25.0 110.326 -176.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . 62.26 -16.85 0.05 OUTLIER 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 118.328 2.714 . . . . 25.0 118.328 174.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -75.28 67.43 1.88 Allowed 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 113.22 0.822 . . . . 25.0 113.22 -178.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 4.7 t -93.94 148.79 35.87 Favored Pre-proline 0 C--N 1.322 -0.591 0 N-CA-C 107.609 -1.256 . . . . 25.0 107.609 177.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -75.71 165.66 29.83 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 116.799 -1.667 . . . . 25.0 112.271 178.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.372 0 N-CA-C 105.828 -2.909 . . . . 25.0 105.828 178.663 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 206' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.74 0 CA-C-O 118.245 -0.883 . . . . 25.0 109.751 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 39.24 96.24 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 117.508 2.41 . . . . 25.0 117.508 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -71.92 147.24 41.16 Favored Glycine 0 C--O 1.227 -0.299 0 C-N-CA 120.035 -1.079 . . . . 25.0 111.802 176.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 68.9 p -86.93 -174.99 5.2 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 107.842 -1.17 . . . . 25.0 107.842 177.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -87.22 5.08 39.9 Favored 'General case' 0 C--N 1.321 -0.659 0 O-C-N 121.16 -0.963 . . . . 25.0 111.449 173.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -89.01 -160.47 36.49 Favored Glycine 0 N--CA 1.459 0.211 0 N-CA-C 108.403 -1.879 . . . . 25.0 108.403 172.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -93.01 128.21 38.8 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.945 -1.131 . . . . 25.0 107.945 177.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -127.62 155.66 43.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.223 0.535 . . . . 50.0 111.919 -176.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 88.0 t -120.48 117.41 53.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 105.167 -2.16 . . . . 25.0 105.167 171.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 70.9 mt -121.66 131.82 54.31 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.33 -0.989 . . . . 25.0 108.33 -175.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 73.8 mt -132.04 128.39 59.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 107.157 -1.423 . . . . 25.0 107.157 -178.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -92.58 163.01 27.07 Favored Glycine 0 N--CA 1.45 -0.387 0 CA-C-O 121.901 0.723 . . . . 25.0 113.334 -179.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 94.1 p -94.19 -177.56 4.33 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 123.834 0.854 . . . . 25.0 109.385 179.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -72.94 -15.25 61.57 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 115.897 1.814 . . . . 25.0 115.897 -176.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.6 m -83.28 166.57 2.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 109.189 -0.671 . . . . 25.0 109.189 177.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.33 137.94 28.48 Favored Glycine 0 CA--C 1.518 0.263 0 C-N-CA 120.526 -0.845 . . . . 25.0 111.09 178.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -144.67 165.4 28.14 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 117.493 0.646 . . . . 75.0 112.319 -173.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -119.74 115.94 24.92 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 106.37 -1.715 . . . . 25.0 106.37 173.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 37.8 mm -118.43 124.57 73.33 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 N-CA-C 109.56 -0.533 . . . . 25.0 109.56 -174.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.7 m -124.06 134.24 53.45 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 110.115 -0.328 . . . . 25.0 110.115 178.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -96.14 -21.8 21.77 Favored Glycine 0 CA--C 1.521 0.407 0 N-CA-C 116.838 1.495 . . . . 25.0 116.838 -174.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.71 -165.09 54.7 Favored Glycine 0 CA--C 1.525 0.709 0 CA-C-N 118.059 0.93 . . . . 25.0 112.589 -178.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.38 -179.87 2.65 Favored 'General case' 0 CA--C 1.535 0.396 0 O-C-N 121.766 -0.844 . . . . 25.0 109.36 177.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.51 170.86 40.62 Favored Glycine 0 C--O 1.243 0.675 0 C-N-CA 121.067 -0.587 . . . . 25.0 112.514 -178.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -91.38 117.39 29.63 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 108.538 -0.912 . . . . 25.0 108.538 -178.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -125.4 169.74 12.06 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 114.024 1.12 . . . . 50.0 114.024 -171.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 52.1 ttt180 -124.53 130.06 51.76 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 107.87 -1.159 . . . . 25.0 107.87 166.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.9 mp -125.45 105.11 8.82 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.295 -0.631 . . . . 25.0 109.295 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -103.4 135.84 44.26 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 106.255 -1.758 . . . . 25.0 106.255 175.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -98.22 -25.53 10.21 Favored Glycine 0 CA--C 1.52 0.397 0 N-CA-C 114.644 0.618 . . . . 25.0 114.644 -176.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 71.6 -159.58 53.85 Favored Glycine 0 C--O 1.243 0.697 0 N-CA-C 111.437 -0.665 . . . . 25.0 111.437 -177.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.86 175.98 6.79 Favored 'General case' 0 C--O 1.245 0.819 0 O-C-N 121.969 -0.724 . . . . 25.0 109.718 178.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.84 166.35 35.33 Favored Glycine 0 N--CA 1.452 -0.263 0 N-CA-C 110.271 -1.132 . . . . 25.0 110.271 -177.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -83.31 129.58 35.01 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 107.078 -1.453 . . . . 25.0 107.078 -179.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -131.41 149.99 52.32 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 113.634 0.976 . . . . 50.0 113.634 -171.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.2 mp -108.66 128.43 54.85 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 106.13 -1.804 . . . . 25.0 106.13 174.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 mp -128.82 117.73 21.56 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 112.157 0.428 . . . . 25.0 112.157 -176.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -115.31 105.9 13.4 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 121.212 0.53 . . . . 25.0 109.759 179.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -64.51 -40.01 97.31 Favored Glycine 0 C--O 1.249 1.058 0 N-CA-C 114.895 0.718 . . . . 25.0 114.895 -176.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.65 179.69 53.0 Favored Glycine 0 CA--C 1.517 0.21 0 N-CA-C 110.62 -0.992 . . . . 25.0 110.62 -177.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.43 157.62 10.9 Favored 'General case' 0 CA--C 1.545 0.75 0 O-C-N 121.905 -0.762 . . . . 25.0 110.538 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.96 166.85 41.8 Favored Glycine 0 C--O 1.243 0.687 0 N-CA-C 110.303 -1.119 . . . . 25.0 110.303 -176.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 -88.54 133.28 34.2 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 107.174 -1.417 . . . . 25.0 107.174 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -128.05 160.8 30.84 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-O 120.971 0.415 . . . . 50.0 110.539 -173.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -122.94 124.18 42.61 Favored 'General case' 0 CA--C 1.509 -0.61 0 N-CA-C 104.466 -2.42 . . . . 25.0 104.466 -178.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.3 mp -128.11 142.28 51.24 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 118.372 0.533 . . . . 25.0 111.649 -172.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.6 m -129.77 107.78 9.67 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.334 -0.617 . . . . 25.0 109.334 179.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -75.35 -39.57 35.73 Favored Glycine 0 C--O 1.241 0.55 0 C-N-CA 120.074 -1.06 . . . . 25.0 114.549 -175.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.03 -162.68 54.11 Favored Glycine 0 C--O 1.236 0.276 0 C-N-CA 121.123 -0.56 . . . . 25.0 112.448 -178.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.5 mt -64.92 160.4 20.68 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-O 120.897 0.379 . . . . 25.0 110.739 178.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 91.46 167.03 40.56 Favored Glycine 0 C--O 1.246 0.857 0 N-CA-C 110.275 -1.13 . . . . 25.0 110.275 -177.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.31 124.8 30.97 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 106.062 -1.829 . . . . 25.0 106.062 177.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -124.16 142.83 50.89 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.79 -0.448 . . . . 50.0 109.79 -175.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.8 t -120.92 135.78 55.11 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.868 0.842 . . . . 25.0 108.997 175.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -113.32 117.31 31.47 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 105.257 -2.127 . . . . 25.0 105.257 -178.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 52.6 ttt85 -123.9 144.83 49.53 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.019 0.914 . . . . 25.0 112.399 -171.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 29.3 p90 -72.84 137.21 45.57 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.486 -1.234 . . . . 25.0 109.503 175.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -98.16 -25.53 14.87 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 108.905 -0.776 . . . . 25.0 108.905 172.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.1 mp -137.48 164.33 28.95 Favored 'General case' 0 C--O 1.214 -0.777 0 N-CA-C 107.398 -1.334 . . . . 25.0 107.398 178.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 37.6 ptt180 -71.57 -14.9 62.23 Favored 'General case' 0 C--O 1.216 -0.694 0 CA-C-O 121.305 0.574 . . . . 25.0 110.913 173.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -103.6 12.04 35.41 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.678 -0.692 . . . . 25.0 109.868 -178.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -60.07 -35.1 74.43 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 116.132 -0.485 . . . . 25.0 110.744 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 39.8 m -139.39 109.79 6.57 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.781 -1.192 . . . . 25.0 107.781 175.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -153.69 153.45 32.28 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.693 -1.225 . . . . 25.0 107.693 -170.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -138.1 144.19 40.75 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 109.349 -0.611 . . . . 25.0 109.349 176.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 86.4 p -154.21 170.14 8.92 Favored Pre-proline 0 C--N 1.323 -0.559 0 N-CA-C 106.287 -1.746 . . . . 25.0 106.287 -178.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -69.48 -8.5 23.77 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 115.382 -2.612 . . . . 25.0 113.642 176.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 75.2 mt -79.4 -11.88 59.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.136 0.493 . . . . 25.0 110.737 177.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 145.16 174.88 17.82 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 121.119 -0.563 . . . . 25.0 113.006 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.0 t -108.14 141.22 40.19 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.592 0.71 . . . . 25.0 109.44 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -130.18 10.35 5.35 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 107.137 -1.431 . . . . 25.0 107.137 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 79.5 p -70.59 140.91 51.8 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-N 115.653 -0.703 . . . . 25.0 110.235 -177.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -88.91 152.1 21.93 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.272 0.558 . . . . 50.0 111.442 179.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.3 mp -121.92 128.32 51.42 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.77 -1.196 . . . . 25.0 107.77 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 12.1 mt -104.23 137.33 33.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 N-CA-C 105.409 -2.071 . . . . 25.0 105.409 175.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -89.63 -34.45 16.3 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.331 -0.85 . . . . 25.0 111.541 -173.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -139.11 119.64 13.97 Favored 'General case' 0 C--O 1.241 0.642 0 N-CA-C 107.276 -1.379 . . . . 25.0 107.276 -178.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -139.23 127.7 22.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.918 0.39 . . . . 25.0 110.047 -178.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -98.29 105.8 31.35 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.585 -0.734 . . . . 25.0 109.571 -179.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -69.54 -7.67 21.59 Favored 'Trans proline' 0 C--O 1.217 -0.544 0 C-N-CA 117.458 -1.228 . . . . 25.0 113.727 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 43.9 t -90.19 -10.84 42.95 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.211 0.448 . . . . 25.0 112.211 176.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 82.4 mm-40 -138.54 -28.21 0.83 Allowed 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 114.686 1.365 . . . . 25.0 114.686 -171.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -100.85 158.52 15.91 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.579 0.585 . . . . 50.0 112.579 -168.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 41.3 tptt -132.03 148.91 52.53 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.008 -0.542 . . . . 25.0 111.74 -174.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 45.8 mt -124.0 115.95 46.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 N-CA-C 109.676 -0.49 . . . . 25.0 109.676 176.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -94.62 116.51 28.85 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.655 -0.498 . . . . 25.0 109.655 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 22.2 m -124.3 28.09 2.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 CA-C-O 122.045 0.926 . . . . 25.0 109.591 -178.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.08 21.56 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 115.013 1.486 . . . . 25.0 115.013 -176.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.08 -40.43 90.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.556 0.693 . . . . 25.0 110.816 -178.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 18.3 mt -131.06 -42.43 1.09 Allowed 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 105.5 -2.037 . . . . 25.0 105.5 177.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 96.71 167.81 33.65 Favored Glycine 0 N--CA 1.447 -0.619 0 N-CA-C 108.483 -1.847 . . . . 25.0 108.483 -178.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -134.33 131.37 38.24 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 106.916 -1.513 . . . . 25.0 106.916 179.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 13.9 tt -81.84 -9.05 11.71 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 CA-C-O 121.576 0.703 . . . . 25.0 111.445 -173.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -156.98 167.01 33.69 Favored Glycine 0 CA--C 1.508 -0.4 0 N-CA-C 108.774 -1.73 . . . . 25.0 108.774 177.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 82.9 mt -120.53 4.63 10.65 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 113.769 1.026 . . . . 25.0 113.769 -175.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -110.17 -30.62 3.33 Favored Glycine 0 CA--C 1.528 0.863 0 N-CA-C 120.763 3.065 . . . . 25.0 120.763 -173.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -95.85 -26.08 15.77 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 116.039 1.866 . . . . 25.0 116.039 -169.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 77.95 4.71 86.2 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 115.621 1.008 . . . . 25.0 115.621 178.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -139.96 167.75 21.4 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 107.202 -1.407 . . . . 25.0 107.202 -179.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 54.02 44.53 29.18 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 121.514 0.673 . . . . 25.0 112.248 177.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 76.56 19.23 78.27 Favored Glycine 0 N--CA 1.452 -0.263 0 N-CA-C 114.653 0.621 . . . . 25.0 114.653 176.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 53.1 p -116.72 158.03 24.5 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 118.072 0.936 . . . . 25.0 110.223 178.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.3 mt -92.5 172.56 8.3 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.306 -0.998 . . . . 25.0 108.306 177.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -159.37 160.03 34.5 Favored 'General case' 0 C--O 1.244 0.769 0 N-CA-C 103.668 -2.716 . . . . 25.0 103.668 173.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 5.4 p -141.43 155.49 20.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.152 0.501 . . . . 25.0 111.466 -177.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 22.2 p -138.84 144.6 39.32 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 100.763 -3.791 . . . . 25.0 100.763 172.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.1 mt -127.58 153.08 46.83 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 118.033 2.605 . . . . 25.0 118.033 -166.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.0 t -68.18 47.15 0.05 OUTLIER 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 115.964 1.838 . . . . 25.0 115.964 173.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -55.36 -52.69 62.69 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.91 0.386 . . . . 25.0 111.037 -177.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -104.61 33.88 3.37 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.459 0.647 . . . . 25.0 109.769 179.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 79.01 17.6 76.62 Favored Glycine 0 CA--C 1.521 0.412 0 C-N-CA 120.779 -0.724 . . . . 25.0 112.041 -176.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 50.7 mt -70.05 -11.55 60.96 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 116.149 1.907 . . . . 25.0 116.149 -173.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 83.5 mtt-85 82.54 141.99 0.07 Allowed 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 126.389 1.875 . . . . 25.0 106.626 -177.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.419 ' HB ' ' HB2' ' A' ' 132' ' ' LEU . 88.5 m -103.91 132.95 49.67 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 107.031 -1.47 . . . . 25.0 107.031 -176.339 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -123.66 134.31 53.77 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.526 -0.916 . . . . 25.0 108.526 178.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.5 mp -110.76 126.99 55.17 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 104.729 -2.322 . . . . 25.0 104.729 178.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -130.49 132.92 45.89 Favored 'General case' 0 C--O 1.217 -0.622 0 CA-C-N 117.761 0.255 . . . . 25.0 111.342 -176.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 32.7 t -141.52 155.24 45.82 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.334 -0.987 . . . . 25.0 108.334 175.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -141.9 124.73 16.05 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.144 -1.058 . . . . 25.0 108.144 176.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.19 145.51 24.66 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 106.097 -1.816 . . . . 25.0 106.097 177.647 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -136.34 17.32 3.17 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.1 -0.704 . . . . 25.0 109.1 178.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -124.95 -41.03 2.12 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.87 -1.059 . . . . 25.0 113.084 -165.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -118.79 -26.27 6.12 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 113.241 0.83 . . . . 25.0 113.241 -176.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -132.09 -34.59 1.26 Allowed 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 113.918 1.081 . . . . 25.0 113.918 -174.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 69.21 36.7 80.08 Favored Glycine 0 CA--C 1.519 0.306 0 C-N-CA 121.047 -0.597 . . . . 25.0 112.093 -176.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 89.9 mmt-85 -134.79 160.45 38.15 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 117.723 0.762 . . . . 25.0 112.2 -174.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 46.3 m -92.42 134.38 35.0 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.75 -0.659 . . . . 25.0 110.239 177.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -125.75 119.17 27.23 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 105.965 -1.865 . . . . 25.0 105.965 178.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -141.08 152.33 44.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.872 -0.604 . . . . 25.0 109.774 -167.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.0 mp -140.58 166.89 23.5 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 108.364 -0.976 . . . . 25.0 108.364 -179.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -139.3 149.49 44.3 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.944 0.402 . . . . 25.0 111.54 176.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.419 ' HB2' ' HB ' ' A' ' 114' ' ' THR . 35.6 mt -131.04 112.94 13.35 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.429 -1.323 . . . . 25.0 107.429 175.388 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -92.02 157.48 16.76 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 104.267 -2.494 . . . . 25.0 104.267 177.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 59.39 18.0 41.67 Favored Glycine 0 C--O 1.22 -0.741 0 CA-C-O 121.811 0.673 . . . . 25.0 113.782 178.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -67.09 133.6 50.18 Favored 'General case' 0 N--CA 1.444 -0.733 0 O-C-N 122.353 -0.498 . . . . 25.0 111.765 -174.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -73.19 72.8 1.24 Allowed 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 123.161 0.584 . . . . 25.0 111.083 176.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -65.61 -25.14 67.25 Favored 'General case' 0 C--O 1.219 -0.503 0 N-CA-C 109.728 -0.471 . . . . 25.0 109.728 177.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.78 -25.84 67.72 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.247 -0.433 . . . . 25.0 111.676 177.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 42.9 p -127.26 36.61 4.39 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 109.823 -0.436 . . . . 25.0 109.823 178.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.8 pp -58.91 159.69 6.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.902 0.858 . . . . 25.0 112.195 -177.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 41.3 t -148.19 144.59 27.83 Favored 'General case' 0 CA--C 1.508 -0.659 0 N-CA-C 107.106 -1.442 . . . . 25.0 107.106 173.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -84.12 -15.86 45.73 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.308 0.575 . . . . 25.0 109.481 178.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -84.06 10.19 61.35 Favored Glycine 0 CA--C 1.52 0.39 0 N-CA-C 116.187 1.235 . . . . 25.0 116.187 -175.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -67.01 -22.6 65.89 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 118.406 1.103 . . . . 25.0 112.29 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 1.3 pp -79.11 159.19 4.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.394 0.616 . . . . 25.0 111.164 179.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 7.0 p -56.86 -25.14 21.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 N-CA-C 114.366 1.247 . . . . 25.0 114.366 -178.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -71.58 -22.2 61.77 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 121.81 -0.556 . . . . 25.0 111.972 -177.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . 52.71 -151.25 0.31 Allowed 'General case' 0 N--CA 1.466 0.333 0 O-C-N 123.642 0.589 . . . . 25.0 111.356 178.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . 57.92 17.82 4.58 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 115.008 1.485 . . . . 25.0 115.008 176.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -120.73 110.51 16.46 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.645 0.735 . . . . 25.0 111.147 -178.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 10.3 t -69.85 150.51 96.47 Favored Pre-proline 0 CA--C 1.539 0.552 0 CA-C-N 115.245 -0.889 . . . . 25.0 110.622 -179.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -71.27 170.35 18.51 Favored 'Trans proline' 0 C--N 1.352 0.721 0 C-N-CA 117.817 -0.989 . . . . 25.0 111.13 171.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.307 0 N-CA-C 105.703 -2.959 . . . . 25.0 105.703 178.369 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 206' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.694 0 CA-C-O 118.48 -0.772 . . . . 25.0 109.619 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 66.24 155.67 0.09 Allowed 'General case' 0 N--CA 1.477 0.906 0 O-C-N 125.031 1.457 . . . . 25.0 111.223 -174.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -95.71 165.68 24.71 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 121.069 -0.586 . . . . 25.0 113.09 -177.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.459 HG23 ' H ' ' A' ' 6' ' ' GLY . 5.8 t -98.46 -175.03 2.98 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 104.628 -2.36 . . . . 25.0 104.628 173.634 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -84.89 2.63 41.78 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 121.075 -1.015 . . . . 25.0 112.492 -178.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.459 ' H ' HG23 ' A' ' 4' ' ' THR . . . -84.8 -172.19 48.89 Favored Glycine 0 CA--C 1.52 0.383 0 N-CA-C 108.97 -1.652 . . . . 25.0 108.97 170.169 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 38.7 m-20 -83.6 131.24 34.98 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 118.327 1.064 . . . . 25.0 108.407 178.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -127.72 158.72 36.87 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-O 120.985 0.421 . . . . 50.0 112.056 -177.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 84.8 t -123.93 115.93 46.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 104.787 -2.301 . . . . 25.0 104.787 168.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 66.7 mt -118.38 135.87 54.08 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.274 -1.009 . . . . 25.0 108.274 -176.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 71.1 mt -133.32 129.46 56.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 N-CA-C 108.275 -1.009 . . . . 25.0 108.275 -177.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -92.22 170.49 32.96 Favored Glycine 0 C--O 1.228 -0.265 0 CA-C-O 121.617 0.565 . . . . 25.0 114.175 -178.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.9 t -99.03 -175.46 3.04 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 123.468 0.707 . . . . 25.0 109.692 178.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -69.77 -25.91 64.03 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 113.22 0.822 . . . . 25.0 113.22 -177.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 32.9 m -72.6 163.9 3.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 110.103 -0.332 . . . . 25.0 110.103 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.49 136.75 22.59 Favored Glycine 0 CA--C 1.516 0.121 0 N-CA-C 110.555 -1.018 . . . . 25.0 110.555 177.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -141.16 164.88 29.07 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.405 0.622 . . . . 50.0 112.644 -173.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -121.49 118.22 28.79 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 105.663 -1.977 . . . . 25.0 105.663 173.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 57.0 mt -127.1 123.91 63.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 109.832 -0.433 . . . . 25.0 109.832 -172.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 62.8 p -118.4 135.82 54.12 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.005 0.431 . . . . 25.0 110.215 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -91.37 -24.74 25.63 Favored Glycine 0 CA--C 1.517 0.186 0 N-CA-C 115.369 0.908 . . . . 25.0 115.369 -176.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 73.94 -162.73 54.45 Favored Glycine 0 C--O 1.244 0.725 0 CA-C-N 117.729 0.764 . . . . 25.0 111.411 -176.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.4 179.35 3.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 117.857 0.828 . . . . 25.0 109.53 177.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.5 165.66 37.11 Favored Glycine 0 C--O 1.238 0.381 0 N-CA-C 112.042 -0.423 . . . . 25.0 112.042 -178.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -87.02 112.18 21.6 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 107.196 -1.409 . . . . 25.0 107.196 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -118.3 166.53 12.51 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 113.682 0.993 . . . . 50.0 113.682 -171.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.5 ttm180 -123.66 128.71 50.05 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 104.813 -2.292 . . . . 25.0 104.813 168.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.0 mp -121.79 140.84 51.85 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 104.922 -2.251 . . . . 25.0 104.922 177.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.449 ' HA ' ' HB ' ' A' ' 47' ' ' THR . 59.5 t0 -134.14 133.73 41.36 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 104.46 -2.422 . . . . 25.0 104.46 174.078 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -95.73 -21.04 24.86 Favored Glycine 0 N--CA 1.447 -0.581 0 N-CA-C 111.625 -0.59 . . . . 25.0 111.625 -178.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 66.81 -156.36 51.61 Favored Glycine 0 C--O 1.243 0.694 0 N-CA-C 111.038 -0.825 . . . . 25.0 111.038 -175.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.17 173.61 9.18 Favored 'General case' 0 C--O 1.243 0.757 0 O-C-N 122.037 -0.684 . . . . 25.0 110.049 178.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 81.74 167.23 38.7 Favored Glycine 0 CA--C 1.51 -0.258 0 CA-C-N 115.844 -0.617 . . . . 25.0 111.712 -178.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -85.25 128.16 34.58 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 107.201 -1.407 . . . . 25.0 107.201 -178.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -132.58 153.32 51.12 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 114.026 1.121 . . . . 50.0 114.026 -171.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.2 mp -111.59 122.19 47.16 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 106.868 -1.53 . . . . 25.0 106.868 175.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.3 mp -124.08 124.3 42.22 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.106 0.41 . . . . 25.0 112.106 -177.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -113.02 119.87 39.39 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 116.218 -0.446 . . . . 25.0 110.021 178.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -74.5 -46.54 19.16 Favored Glycine 0 C--O 1.247 0.908 0 N-CA-C 115.733 1.053 . . . . 25.0 115.733 -176.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.2 -176.2 54.79 Favored Glycine 0 C--O 1.239 0.451 0 O-C-N 122.017 -0.696 . . . . 25.0 111.898 -177.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.85 155.37 16.46 Favored 'General case' 0 C--O 1.241 0.652 0 O-C-N 121.93 -0.747 . . . . 25.0 109.877 179.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.94 166.94 41.89 Favored Glycine 0 C--O 1.242 0.601 0 N-CA-C 110.806 -0.918 . . . . 25.0 110.806 -177.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.5 ptt180 -90.92 126.79 36.16 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 106.838 -1.542 . . . . 25.0 106.838 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -123.27 160.05 27.47 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-O 121.128 0.489 . . . . 50.0 111.411 -171.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -116.04 108.03 15.7 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 105.798 -1.927 . . . . 25.0 105.798 176.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.3 mt -103.48 97.97 7.93 Favored 'General case' 0 C--N 1.32 -0.678 0 O-C-N 123.746 0.654 . . . . 25.0 110.212 -173.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.449 ' HB ' ' HA ' ' A' ' 29' ' ' ASP . 7.9 m -92.48 114.48 27.04 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 108.481 -0.933 . . . . 25.0 108.481 -179.284 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -83.45 -38.71 10.5 Favored Glycine 0 C--O 1.24 0.475 0 C-N-CA 119.836 -1.173 . . . . 25.0 112.333 -177.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 72.63 -164.3 54.71 Favored Glycine 0 C--O 1.24 0.509 0 N-CA-C 110.939 -0.864 . . . . 25.0 110.939 -177.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.0 mt -65.9 156.72 32.6 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.113 0.482 . . . . 25.0 110.618 178.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.96 165.56 32.79 Favored Glycine 0 C--O 1.242 0.605 0 N-CA-C 110.627 -0.989 . . . . 25.0 110.627 -178.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.88 112.41 21.12 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 106.538 -1.653 . . . . 25.0 106.538 179.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -112.49 152.54 28.65 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.292 -0.413 . . . . 50.0 109.904 -174.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.2 t -125.99 136.17 52.68 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 108.904 -0.776 . . . . 25.0 108.904 174.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -112.36 125.78 54.56 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 106.417 -1.698 . . . . 25.0 106.417 -177.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 42.7 ttt-85 -121.16 148.84 43.68 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.533 0.682 . . . . 25.0 112.126 -171.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 52.2 p90 -76.24 146.95 38.66 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.074 -1.084 . . . . 25.0 108.074 171.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -119.85 -4.03 10.2 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.081 -0.711 . . . . 25.0 109.081 172.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.442 ' HG ' ' H ' ' A' ' 61' ' ' GLU . 26.4 tp -154.99 158.38 39.09 Favored 'General case' 0 C--O 1.221 -0.413 0 N-CA-C 108.726 -0.842 . . . . 25.0 108.726 -177.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 32.2 ptt85 -66.06 -26.13 67.35 Favored 'General case' 0 C--O 1.211 -0.922 0 O-C-N 122.029 -0.42 . . . . 25.0 110.319 174.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.442 ' H ' ' HG ' ' A' ' 59' ' ' LEU . 49.7 mt-10 -101.86 16.17 26.75 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.675 0.75 . . . . 25.0 111.802 -175.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -58.69 -30.9 67.74 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.67 -0.695 . . . . 25.0 111.638 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 45.4 m -127.33 48.88 2.16 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.369 0.668 . . . . 25.0 111.811 -178.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 15.3 t-160 -101.75 142.86 32.43 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 113.642 0.978 . . . . 25.0 113.642 -169.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -129.22 131.93 47.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.388 0.613 . . . . 25.0 109.419 170.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 91.2 p -121.03 166.33 16.17 Favored Pre-proline 0 C--N 1.319 -0.76 0 N-CA-C 106.058 -1.83 . . . . 25.0 106.058 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -71.23 -4.63 15.32 Favored 'Trans proline' 0 CA--C 1.533 0.474 0 C-N-CA 115.572 -2.485 . . . . 25.0 113.071 176.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 68.6 mt -102.58 -4.6 24.99 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 111.763 0.283 . . . . 25.0 111.763 -178.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 165.7 158.27 10.63 Favored Glycine 0 N--CA 1.458 0.133 0 C-N-CA 120.521 -0.847 . . . . 25.0 114.231 -178.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.4 t -112.75 134.13 54.42 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.454 0.645 . . . . 25.0 111.451 -179.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -128.34 15.45 6.65 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.234 -0.894 . . . . 25.0 108.697 -178.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 67.2 p -71.55 146.33 48.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.669 -0.696 . . . . 25.0 110.532 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -93.58 156.41 16.74 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 113.502 0.927 . . . . 50.0 113.502 -177.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.2 mp -117.47 131.55 56.71 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 105.552 -2.018 . . . . 25.0 105.552 175.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 31.0 mt -105.59 142.37 18.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 106.119 -1.808 . . . . 25.0 106.119 177.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -126.31 151.54 47.39 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 108.032 -1.099 . . . . 25.0 108.032 -174.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 54.73 44.6 28.27 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 122.243 1.02 . . . . 25.0 109.849 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -83.97 127.86 34.16 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.602 -1.181 . . . . 25.0 111.478 -178.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -102.56 101.09 18.19 Favored Pre-proline 0 C--N 1.322 -0.598 0 N-CA-C 108.372 -0.973 . . . . 25.0 108.372 178.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -69.01 -4.58 13.81 Favored 'Trans proline' 0 C--N 1.343 0.267 0 N-CA-C 115.16 1.177 . . . . 25.0 115.16 -178.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.7 t -98.74 -3.78 34.98 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 111.823 0.305 . . . . 25.0 111.823 176.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 44.8 mm-40 -140.91 -38.74 0.42 Allowed 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 114.792 1.404 . . . . 25.0 114.792 -173.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -81.41 158.84 24.47 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.864 0.364 . . . . 50.0 111.747 -172.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 27.6 tptt -132.91 152.98 51.81 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 111.877 0.325 . . . . 25.0 111.877 -178.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 20.8 mt -130.71 120.48 48.06 Favored 'Isoleucine or valine' 0 C--O 1.239 0.54 0 CA-C-O 120.853 0.358 . . . . 25.0 111.007 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.0 119.28 35.18 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.311 -0.626 . . . . 25.0 109.311 176.203 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.7 m -130.18 25.31 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 CA-C-O 122.225 1.012 . . . . 25.0 109.353 179.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.31 -13.52 19.79 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 115.323 1.601 . . . . 25.0 115.323 -174.307 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.96 -18.23 61.39 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 112.936 0.717 . . . . 25.0 112.936 178.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 24.2 mt -86.83 -53.27 5.01 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 107.182 -1.414 . . . . 25.0 107.182 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 81.44 161.59 27.61 Favored Glycine 0 C--O 1.224 -0.473 0 N-CA-C 109.238 -1.545 . . . . 25.0 109.238 -176.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -139.42 134.5 32.48 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 107.631 -1.248 . . . . 25.0 107.631 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 10.6 tp -106.58 -7.95 10.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.681 0.753 . . . . 25.0 111.171 -174.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -142.03 165.53 26.57 Favored Glycine 0 C--O 1.227 -0.315 0 C-N-CA 120.933 -0.651 . . . . 25.0 112.299 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 73.2 mt -63.48 -26.13 68.58 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 116.091 1.885 . . . . 25.0 116.091 -171.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 140.32 79.85 0.06 OUTLIER Glycine 0 C--O 1.226 -0.393 0 N-CA-C 117.864 1.905 . . . . 25.0 117.864 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -108.93 -11.19 15.02 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 116.968 0.384 . . . . 25.0 110.221 175.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 83.84 1.88 89.8 Favored Glycine 0 N--CA 1.461 0.336 0 N-CA-C 114.349 0.5 . . . . 25.0 114.349 -177.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.486 ' HA ' ' HB3' ' A' ' 119' ' ' TYR . 87.6 m-85 -139.77 152.83 46.9 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.786 -0.45 . . . . 25.0 109.786 -179.127 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 58.54 48.61 11.69 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 113.844 1.053 . . . . 25.0 113.844 176.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 76.34 31.55 54.38 Favored Glycine 0 CA--C 1.51 -0.248 0 C-N-CA 120.761 -0.733 . . . . 25.0 111.802 174.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 27.9 p -134.8 149.51 50.4 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 105.667 -1.975 . . . . 25.0 105.667 178.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.3 mt -94.97 150.24 20.38 Favored 'General case' 0 C--O 1.217 -0.629 0 N-CA-C 116.203 1.927 . . . . 25.0 116.203 -169.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -145.17 160.32 41.62 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 107.328 -1.36 . . . . 25.0 107.328 168.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 11.6 p -125.68 152.03 32.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 107.11 -1.441 . . . . 25.0 107.11 178.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 46.9 m -145.13 161.66 38.94 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 107.989 -1.115 . . . . 25.0 107.989 178.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 72.3 mt -127.85 162.05 27.59 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.82 -1.178 . . . . 25.0 107.82 178.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 83.9 p -77.02 171.35 14.94 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 106.398 -1.704 . . . . 25.0 106.398 170.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.24 -28.92 63.36 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 113.003 0.742 . . . . 25.0 113.003 -178.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -103.95 2.33 32.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.525 0.678 . . . . 25.0 110.467 -174.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 73.8 -1.48 45.96 Favored Glycine 0 C--O 1.222 -0.636 0 CA-C-N 115.671 -0.695 . . . . 25.0 113.452 -175.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 93.1 mt -70.78 -13.27 61.99 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 114.395 1.258 . . . . 25.0 114.395 -174.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 58.9 mtt85 -135.7 154.05 51.4 Favored 'General case' 0 CA--C 1.503 -0.859 0 N-CA-C 107.92 -1.141 . . . . 25.0 107.92 176.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 13.1 m -131.92 150.12 52.24 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 106.88 -1.526 . . . . 25.0 106.88 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -136.25 149.05 48.32 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.485 -0.932 . . . . 25.0 108.485 -178.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 49.4 mt -130.41 138.94 50.59 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.506 -1.294 . . . . 25.0 107.506 178.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 35.6 tttt -140.6 134.3 30.3 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 113.632 0.975 . . . . 25.0 113.632 -177.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 28.3 t -111.68 -36.91 5.33 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 123.794 0.684 . . . . 25.0 111.452 176.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.486 ' HB3' ' HA ' ' A' ' 99' ' ' TYR . 30.2 t80 47.66 63.58 1.95 Allowed 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.523 0.729 . . . . 25.0 112.63 179.369 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -61.41 136.09 57.92 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.64 -0.709 . . . . 25.0 111.684 -174.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -136.15 15.26 3.27 Favored 'General case' 0 C--O 1.22 -0.488 0 CA-C-O 122.185 0.993 . . . . 25.0 109.764 -179.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -61.45 -36.12 79.51 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 113.945 -1.48 . . . . 25.0 112.406 -174.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -156.78 -45.67 0.07 Allowed 'General case' 0 C--O 1.221 -0.422 0 N-CA-C 112.541 0.571 . . . . 25.0 112.541 178.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -92.38 -16.0 26.53 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 114.901 1.445 . . . . 25.0 114.901 -173.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 58.39 60.58 8.67 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 120.599 -0.81 . . . . 25.0 111.909 -178.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 89.3 mmt-85 -132.28 142.38 49.36 Favored 'General case' 0 CA--C 1.504 -0.813 0 N-CA-C 107.505 -1.295 . . . . 25.0 107.505 -177.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.456 ' HA ' ' HA ' ' A' ' 119' ' ' TYR . 9.3 t -86.52 145.85 26.62 Favored 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 119.704 -0.798 . . . . 25.0 109.045 -177.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -131.99 123.22 26.9 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 105.061 -2.2 . . . . 25.0 105.061 175.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -146.26 153.48 40.63 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.669 -1.15 . . . . 25.0 110.352 -168.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 5.3 mp -137.23 165.12 26.9 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 107.489 -1.3 . . . . 25.0 107.489 177.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -143.3 154.58 43.93 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.774 0.321 . . . . 25.0 110.292 176.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 40.4 mt -125.28 131.86 53.01 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 105.226 -2.139 . . . . 25.0 105.226 175.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -114.65 135.17 54.45 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 106.425 -1.694 . . . . 25.0 106.425 177.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 76.31 19.63 78.08 Favored Glycine 0 C--O 1.224 -0.479 0 C-N-CA 120.576 -0.821 . . . . 25.0 112.041 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -64.67 140.99 58.92 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 122.449 -0.442 . . . . 25.0 110.633 -179.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -76.16 78.02 2.98 Favored 'General case' 0 C--O 1.219 -0.549 0 N-CA-C 109.632 -0.507 . . . . 25.0 109.632 174.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -60.8 -29.08 69.23 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.23 0.538 . . . . 25.0 110.094 177.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -62.09 -27.07 68.66 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 115.716 -0.675 . . . . 25.0 111.981 177.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 76.6 p -125.09 28.61 6.34 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 111.97 0.359 . . . . 25.0 111.97 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.7 pp -63.37 154.38 32.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.554 0.692 . . . . 25.0 111.442 -177.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 47.5 t -146.19 153.5 40.7 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.285 -1.005 . . . . 25.0 108.285 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -82.8 11.95 5.37 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 112.702 0.631 . . . . 25.0 112.702 -178.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -103.79 10.16 52.33 Favored Glycine 0 C--O 1.221 -0.66 0 N-CA-C 115.771 1.068 . . . . 25.0 115.771 -176.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -61.34 -42.91 99.47 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 113.775 1.028 . . . . 25.0 113.775 -174.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 98.7 mt -80.71 148.69 5.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 107.422 -1.325 . . . . 25.0 107.422 -175.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 9.9 p -51.4 -33.97 14.8 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 N-CA-C 114.358 1.244 . . . . 25.0 114.358 -178.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -72.15 -28.61 63.35 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.888 0.329 . . . . 25.0 111.888 178.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . 55.78 -167.26 0.1 Allowed 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 114.238 1.199 . . . . 25.0 114.238 178.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . 53.74 25.92 5.51 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 116.045 1.868 . . . . 25.0 116.045 176.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -80.92 45.92 0.86 Allowed 'General case' 0 CA--C 1.545 0.775 0 CA-C-O 121.161 0.505 . . . . 25.0 111.294 178.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 12.5 t -72.75 145.15 86.62 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 116.037 -0.529 . . . . 25.0 111.588 -174.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -73.48 170.21 20.47 Favored 'Trans proline' 0 C--O 1.241 0.665 0 C-N-CA 116.588 -1.808 . . . . 25.0 109.997 169.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 117.676 -1.624 . . . . 25.0 109.051 174.889 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 206' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.846 0 N-CA-C 110.046 -0.353 . . . . 25.0 110.046 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -122.62 153.41 39.36 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 107.008 -1.478 . . . . 25.0 107.008 177.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -95.16 -179.1 37.2 Favored Glycine 0 N--CA 1.45 -0.377 0 CA-C-O 121.663 0.591 . . . . 25.0 113.019 -177.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 81.0 p -109.34 -177.16 3.22 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 105.605 -1.998 . . . . 25.0 105.605 176.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -87.87 6.1 37.14 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.854 0.835 . . . . 25.0 111.147 175.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -89.49 -165.24 40.83 Favored Glycine 0 CA--C 1.517 0.188 0 N-CA-C 108.685 -1.766 . . . . 25.0 108.685 171.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -90.2 125.94 35.65 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.342 -0.984 . . . . 25.0 108.342 178.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -123.52 154.06 39.71 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 121.155 0.502 . . . . 50.0 111.752 -177.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 92.2 t -126.52 111.05 24.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 104.427 -2.434 . . . . 25.0 104.427 169.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 85.3 mt -120.5 137.33 54.42 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.829 -0.169 . . . . 25.0 110.673 -175.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.424 ' HA ' ' HB2' ' A' ' 29' ' ' ASP . 80.1 mt -125.76 127.1 71.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 108.274 -1.01 . . . . 25.0 108.274 179.341 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -85.67 167.63 40.82 Favored Glycine 0 N--CA 1.452 -0.296 0 CA-C-O 121.652 0.585 . . . . 25.0 113.965 -178.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.1 t -94.96 -178.07 4.37 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 123.703 0.801 . . . . 25.0 110.125 179.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -74.16 -20.45 60.22 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 113.244 0.831 . . . . 25.0 113.244 -178.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.6 m -74.42 164.38 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 109.516 -0.55 . . . . 25.0 109.516 177.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.91 138.8 27.52 Favored Glycine 0 CA--C 1.518 0.221 0 N-CA-C 110.279 -1.128 . . . . 25.0 110.279 177.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -144.48 166.48 25.02 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 117.528 0.664 . . . . 50.0 112.558 -174.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -118.14 122.38 42.92 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 104.937 -2.246 . . . . 25.0 104.937 169.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 33.5 mm -118.38 130.52 73.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 106.97 -1.493 . . . . 25.0 106.97 -175.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 80.6 p -125.74 139.17 53.75 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 121.906 -0.496 . . . . 25.0 110.562 179.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -92.19 -35.08 6.81 Favored Glycine 0 C--O 1.227 -0.292 0 C-N-CA 121.087 -0.577 . . . . 25.0 113.82 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 71.42 -159.96 53.95 Favored Glycine 0 C--O 1.245 0.8 0 N-CA-C 110.378 -1.089 . . . . 25.0 110.378 -176.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.01 178.79 3.56 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 118.3 1.05 . . . . 25.0 108.584 175.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.12 167.03 37.21 Favored Glycine 0 C--O 1.243 0.71 0 C-N-CA 120.846 -0.692 . . . . 25.0 112.728 -179.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -92.48 110.88 22.3 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.366 -0.605 . . . . 25.0 109.366 -175.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -120.05 162.01 19.99 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 114.621 1.341 . . . . 50.0 114.621 -169.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 20.0 ttt85 -124.91 129.99 51.49 Favored 'General case' 0 CA--C 1.51 -0.586 0 N-CA-C 104.732 -2.321 . . . . 25.0 104.732 167.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 61.0 mt -125.66 133.81 52.06 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.062 -1.088 . . . . 25.0 108.062 -178.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.424 ' HB2' ' HA ' ' A' ' 11' ' ' ILE . 5.7 m-20 -121.67 138.34 54.38 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 105.855 -1.906 . . . . 25.0 105.855 173.291 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -96.57 -26.31 10.96 Favored Glycine 0 C--N 1.32 -0.325 0 C-N-CA 121.472 -0.394 . . . . 25.0 112.598 -179.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 72.23 -160.38 54.03 Favored Glycine 0 C--O 1.245 0.785 0 N-CA-C 110.827 -0.909 . . . . 25.0 110.827 -176.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.5 175.38 7.09 Favored 'General case' 0 C--O 1.245 0.851 0 O-C-N 122.239 -0.565 . . . . 25.0 109.707 178.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.33 167.92 34.8 Favored Glycine 0 C--O 1.241 0.541 0 N-CA-C 110.565 -1.014 . . . . 25.0 110.565 -177.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -82.58 136.19 34.88 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 106.934 -1.506 . . . . 25.0 106.934 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -137.55 150.5 47.53 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 113.644 0.979 . . . . 50.0 113.644 -173.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.2 mp -109.15 130.49 55.48 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 105.453 -2.055 . . . . 25.0 105.453 175.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.7 mp -131.44 111.33 11.71 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 112.613 0.597 . . . . 25.0 112.613 -177.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -97.64 127.38 43.55 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 122.462 0.305 . . . . 25.0 111.322 179.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -81.94 -55.81 3.05 Favored Glycine 0 C--O 1.251 1.162 0 N-CA-C 116.24 1.256 . . . . 25.0 116.24 -177.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.24 -173.68 55.27 Favored Glycine 0 C--O 1.24 0.517 0 O-C-N 122.25 -0.559 . . . . 25.0 112.241 -177.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.68 162.99 12.17 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 122.288 -0.536 . . . . 25.0 110.682 178.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 85.13 168.11 44.22 Favored Glycine 0 N--CA 1.463 0.468 0 N-CA-C 110.871 -0.891 . . . . 25.0 110.871 -177.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.0 ptp85 -85.8 127.61 34.6 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 118.345 1.072 . . . . 25.0 108.703 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -122.68 148.72 44.96 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 116.143 -0.48 . . . . 50.0 110.715 -173.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? -124.31 103.35 8.17 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 106.119 -1.808 . . . . 25.0 106.119 -178.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.9 mp -108.23 117.19 33.49 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.502 -0.317 . . . . 25.0 111.603 -169.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.7 m -108.71 115.91 30.98 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 122.568 0.347 . . . . 25.0 110.423 -178.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -80.59 -42.03 10.56 Favored Glycine 0 C--O 1.244 0.738 0 C-N-CA 120.01 -1.09 . . . . 25.0 114.326 -176.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 72.71 -163.6 54.8 Favored Glycine 0 CA--C 1.52 0.361 0 N-CA-C 111.119 -0.792 . . . . 25.0 111.119 -177.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 95.5 mt -64.87 158.0 26.37 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-O 121.004 0.43 . . . . 25.0 111.003 178.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 92.22 167.98 40.09 Favored Glycine 0 C--O 1.246 0.893 0 N-CA-C 110.413 -1.075 . . . . 25.0 110.413 -177.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -84.6 123.41 30.29 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 106.51 -1.663 . . . . 25.0 106.51 178.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -121.08 150.02 41.84 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.373 -0.603 . . . . 50.0 109.373 -175.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.7 t -126.25 129.46 48.97 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.741 -0.837 . . . . 25.0 108.741 174.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -107.2 130.86 54.67 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 105.98 -1.859 . . . . 25.0 105.98 -176.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 52.2 ttt180 -127.3 140.03 52.49 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 113.935 1.087 . . . . 25.0 113.935 -169.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -90.26 150.63 21.87 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 114.743 -1.117 . . . . 25.0 108.84 176.133 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -101.73 -44.57 5.51 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.45 -0.574 . . . . 25.0 109.45 177.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 41.0 tp -140.42 158.69 43.62 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 105.987 -1.856 . . . . 25.0 105.987 178.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 39.9 ptt180 -61.17 -20.84 63.2 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-O 121.346 0.593 . . . . 25.0 111.776 179.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -83.27 3.73 30.04 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.826 -0.625 . . . . 25.0 111.163 -178.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -61.38 -32.09 72.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.448 -0.342 . . . . 25.0 110.09 175.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.7 p -131.55 93.58 3.36 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.492 0.663 . . . . 25.0 109.44 -177.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 49.4 t-80 -138.01 153.4 49.4 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.752 -0.658 . . . . 25.0 109.691 -173.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 -132.73 153.56 51.05 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 108.955 -0.757 . . . . 25.0 108.955 175.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 89.1 p -151.08 166.63 14.67 Favored Pre-proline 0 C--N 1.322 -0.599 0 N-CA-C 106.723 -1.584 . . . . 25.0 106.723 -176.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -70.01 -11.32 30.28 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 115.946 -2.236 . . . . 25.0 112.975 176.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 83.1 mt -88.54 -3.02 58.9 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 122.304 0.242 . . . . 25.0 111.496 179.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 144.72 172.25 15.11 Favored Glycine 0 C--O 1.235 0.203 0 C-N-CA 120.754 -0.736 . . . . 25.0 114.073 179.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.8 t -107.2 141.24 38.8 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.289 0.566 . . . . 25.0 111.014 -178.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -128.59 16.95 6.43 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 106.039 -1.837 . . . . 25.0 106.039 177.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 46.4 t -66.33 145.91 55.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.498 -1.228 . . . . 25.0 109.64 -178.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -98.74 148.75 23.55 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.337 -0.392 . . . . 50.0 111.593 -178.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.6 mp -118.11 131.21 56.44 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 106.946 -1.501 . . . . 25.0 106.946 177.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 52.8 mt -106.63 142.23 19.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 N-CA-C 102.839 -3.023 . . . . 25.0 102.839 169.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 40.5 mt -122.48 141.05 52.05 Favored 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 108.812 -0.81 . . . . 25.0 108.812 -172.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 54.68 47.78 21.76 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 122.284 1.04 . . . . 25.0 111.618 174.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -79.42 133.8 36.55 Favored 'General case' 0 C--O 1.241 0.635 0 CA-C-N 114.736 -1.12 . . . . 25.0 111.46 -177.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -98.43 103.11 16.65 Favored Pre-proline 0 N--CA 1.467 0.419 0 CA-C-N 116.183 -0.462 . . . . 25.0 110.066 177.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -73.17 8.27 1.82 Allowed 'Trans proline' 0 CA--C 1.536 0.585 0 N-CA-C 115.004 1.117 . . . . 25.0 115.004 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 19.9 t -107.76 -7.71 16.27 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 115.864 -0.607 . . . . 25.0 110.451 177.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 25.4 mm-40 -141.39 -33.86 0.5 Allowed 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 114.538 1.311 . . . . 25.0 114.538 -174.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -91.71 157.49 16.9 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.289 0.566 . . . . 50.0 112.091 -170.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -135.18 154.61 51.56 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.899 -0.591 . . . . 25.0 110.218 -175.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 42.7 mt -121.64 117.33 52.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 107.769 -1.197 . . . . 25.0 107.769 176.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -86.14 111.76 20.67 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.062 -0.718 . . . . 25.0 109.062 -179.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 23.8 m -132.51 160.1 42.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 108.517 -0.92 . . . . 25.0 108.517 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 48.4 t -156.87 -73.41 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.833 0.309 . . . . 25.0 111.833 178.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -76.87 41.48 0.28 Allowed 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 115.174 1.546 . . . . 25.0 115.174 -174.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 15.6 mt -105.72 -41.98 5.3 Favored 'General case' 0 C--O 1.218 -0.563 0 N-CA-C 106.895 -1.521 . . . . 25.0 106.895 176.117 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 61.42 31.52 77.72 Favored Glycine 0 C--O 1.224 -0.517 0 N-CA-C 116.752 1.461 . . . . 25.0 116.752 172.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -61.42 126.28 26.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 118.331 1.066 . . . . 25.0 110.315 -178.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 12.3 tt -87.75 -7.14 10.89 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 CA-C-N 115.545 -0.752 . . . . 25.0 112.918 -171.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -175.42 -177.96 44.89 Favored Glycine 0 C--O 1.226 -0.386 0 C-N-CA 119.95 -1.119 . . . . 25.0 113.643 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 85.0 mt -119.0 11.87 12.6 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.139 0.576 . . . . 25.0 112.402 -176.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -68.16 -91.58 0.06 OUTLIER Glycine 0 CA--C 1.526 0.731 0 N-CA-C 119.179 2.432 . . . . 25.0 119.179 -173.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -103.92 -1.85 27.05 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 115.753 1.76 . . . . 25.0 115.753 -165.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 77.66 16.27 80.36 Favored Glycine 0 C--N 1.321 -0.268 0 C-N-CA 119.969 -1.11 . . . . 25.0 113.097 -177.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -137.82 166.5 23.85 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.186 -1.042 . . . . 25.0 108.186 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 53.26 42.16 32.11 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.247 0.619 . . . . 25.0 111.88 178.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 80.63 3.46 90.21 Favored Glycine 0 C--O 1.225 -0.431 0 C-N-CA 120.966 -0.635 . . . . 25.0 114.654 177.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 63.4 p -100.02 158.83 15.55 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 118.388 1.094 . . . . 25.0 109.072 178.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 14.2 mt -94.54 171.49 8.77 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 123.534 0.734 . . . . 25.0 109.309 177.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -149.03 153.31 37.69 Favored 'General case' 0 C--O 1.24 0.596 0 N-CA-C 101.158 -3.645 . . . . 25.0 101.158 170.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 9.0 p -140.05 153.92 22.97 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 N-CA-C 113.189 0.811 . . . . 25.0 113.189 -173.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 50.1 m -138.43 148.36 44.34 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 102.196 -3.261 . . . . 25.0 102.196 171.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.433 ' HA ' ' HA ' ' A' ' 114' ' ' THR . 1.7 mp -134.94 150.4 50.38 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 114.738 1.384 . . . . 25.0 114.738 -171.556 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.7 t -66.47 39.12 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 115.659 1.726 . . . . 25.0 115.659 171.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -70.04 -27.66 64.84 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.184 -1.043 . . . . 25.0 108.184 178.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 52.0 p-10 -102.8 10.86 38.22 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.437 -1.256 . . . . 25.0 109.964 177.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 83.02 -1.54 88.5 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 115.434 0.934 . . . . 25.0 115.434 -179.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 78.1 mt -93.42 21.35 6.23 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 117.434 2.383 . . . . 25.0 117.434 -172.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 64.9 mtt85 88.04 153.18 0.06 Allowed 'General case' 0 N--CA 1.499 1.977 0 C-N-CA 125.892 1.677 . . . . 25.0 110.515 169.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.433 ' HA ' ' HA ' ' A' ' 107' ' ' LEU . 29.1 m -99.95 138.71 36.66 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 107.027 -1.472 . . . . 25.0 107.027 -178.075 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -132.31 141.13 48.84 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 108.01 -1.107 . . . . 25.0 108.01 178.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 5.1 mp -126.41 129.29 48.46 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 106.432 -1.692 . . . . 25.0 106.432 -179.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -128.98 133.7 47.88 Favored 'General case' 0 C--N 1.322 -0.605 0 O-C-N 122.931 0.144 . . . . 25.0 110.787 -176.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.0 t -143.41 157.13 44.71 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.173 -1.047 . . . . 25.0 108.173 174.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -140.94 128.37 21.21 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 106.44 -1.689 . . . . 25.0 106.44 176.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -121.18 143.04 49.34 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 109.238 -0.652 . . . . 25.0 109.238 -176.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -112.19 0.48 15.84 Favored 'General case' 0 CA--C 1.512 -0.481 0 N-CA-C 114.362 1.245 . . . . 25.0 114.362 -178.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -78.77 -33.88 46.09 Favored 'General case' 0 C--N 1.309 -1.181 0 N-CA-C 106.832 -1.544 . . . . 25.0 106.832 177.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -79.22 21.39 0.46 Allowed 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 115.481 -0.781 . . . . 25.0 110.823 171.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 64.22 28.99 14.0 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.278 1.031 . . . . 25.0 112.524 -179.026 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 93.67 80.06 1.46 Allowed Glycine 0 N--CA 1.46 0.294 0 N-CA-C 114.593 0.597 . . . . 25.0 114.593 174.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -133.26 147.14 51.93 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 122.433 -0.451 . . . . 25.0 111.408 -178.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 47.7 m -98.1 120.92 39.34 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.183 -0.462 . . . . 25.0 109.754 176.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -113.36 109.0 18.0 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 106.414 -1.699 . . . . 25.0 106.414 177.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -136.05 145.76 46.35 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.094 -0.503 . . . . 25.0 110.676 -169.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.8 mp -136.0 166.99 22.06 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.399 0.68 . . . . 25.0 109.873 -176.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -143.29 153.54 42.86 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.673 -0.492 . . . . 25.0 109.673 175.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 13.1 mt -140.72 112.55 7.61 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 108.427 -0.953 . . . . 25.0 108.427 178.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -99.75 155.05 17.84 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.186 -0.672 . . . . 25.0 109.186 -175.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 60.52 27.11 65.44 Favored Glycine 0 C--O 1.221 -0.665 0 C-N-CA 120.906 -0.664 . . . . 25.0 113.157 174.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -84.7 142.94 29.52 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 122.2 -0.588 . . . . 25.0 110.115 -176.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 70.9 m80 -76.55 76.31 3.25 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.386 -0.824 . . . . 25.0 109.915 176.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -64.14 -26.41 68.52 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.062 -0.517 . . . . 25.0 109.72 178.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.65 -26.36 67.96 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.115 -0.493 . . . . 25.0 110.885 176.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 71.1 p -125.28 36.62 4.54 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.756 -0.202 . . . . 25.0 110.561 178.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.8 pp -60.11 153.71 21.17 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.286 0.565 . . . . 25.0 110.775 -177.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 90.8 p -149.31 159.39 44.31 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.653 -0.869 . . . . 25.0 108.653 -179.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -98.62 -6.61 29.53 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 121.206 0.527 . . . . 25.0 110.482 178.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -79.9 0.95 81.18 Favored Glycine 0 C--O 1.221 -0.704 0 CA-C-N 116.162 -0.472 . . . . 25.0 114.156 -176.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -71.88 -14.74 62.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.311 0.577 . . . . 25.0 111.436 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 62.8 mt -85.6 131.44 34.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 105.818 -1.919 . . . . 25.0 105.818 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 10.0 p -55.46 -20.9 8.25 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.773 0 N-CA-C 114.677 1.362 . . . . 25.0 114.677 -177.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -71.39 -27.0 63.02 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 121.552 -0.717 . . . . 25.0 111.506 178.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . 52.2 -157.07 0.14 Allowed 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.632 0.773 . . . . 25.0 111.716 -178.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . 50.84 30.84 5.44 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 115.214 1.561 . . . . 25.0 115.214 176.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -64.46 129.93 41.76 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.136 -0.69 . . . . 25.0 109.136 179.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 7.5 t -74.96 145.59 81.35 Favored Pre-proline 0 C--O 1.24 0.605 0 N-CA-C 108.967 -0.753 . . . . 25.0 108.967 -178.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -77.09 -175.77 2.83 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 118.718 -0.388 . . . . 25.0 111.55 177.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.306 0 N-CA-C 106.108 -2.797 . . . . 25.0 106.108 175.864 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 206' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 118.137 -0.935 . . . . 25.0 109.425 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 26.5 pt20 46.87 -161.79 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.956 0 O-C-N 124.91 1.381 . . . . 25.0 112.029 -174.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -84.78 162.43 37.46 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.93 -0.653 . . . . 25.0 113.888 -175.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.5 t -137.94 -170.0 2.68 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 106.329 -1.73 . . . . 25.0 106.329 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -69.34 147.29 51.3 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.991 -0.744 . . . . 25.0 108.991 177.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 97.26 -174.43 29.79 Favored Glycine 0 CA--C 1.517 0.167 0 N-CA-C 108.587 -1.805 . . . . 25.0 108.587 -172.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 36.4 m-20 -93.45 134.41 35.73 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 118.347 1.074 . . . . 25.0 110.73 -175.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -126.18 154.21 43.56 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.024 0.44 . . . . 50.0 111.196 -179.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 96.9 t -124.93 113.53 36.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 104.758 -2.312 . . . . 25.0 104.758 170.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 43.1 mt -121.38 133.16 55.09 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.817 -0.809 . . . . 25.0 108.817 -173.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.424 ' HA ' ' HB3' ' A' ' 29' ' ' ASP . 77.5 mt -132.7 127.0 55.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 107.748 -1.204 . . . . 25.0 107.748 179.465 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -89.15 -174.98 46.56 Favored Glycine 0 N--CA 1.452 -0.265 0 CA-C-O 121.836 0.687 . . . . 25.0 113.675 -178.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 88.0 p -116.67 -177.02 3.09 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 123.593 0.757 . . . . 25.0 109.35 -178.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -72.31 -14.22 61.69 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 115.618 1.71 . . . . 25.0 115.618 -175.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.8 m -83.06 166.96 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 N-CA-C 109.197 -0.668 . . . . 25.0 109.197 177.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.62 135.72 22.32 Favored Glycine 0 CA--C 1.515 0.078 0 N-CA-C 110.893 -0.883 . . . . 25.0 110.893 178.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -141.61 161.74 37.2 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.232 0.539 . . . . 50.0 112.1 -173.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -119.08 119.32 33.87 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 106.012 -1.847 . . . . 25.0 106.012 172.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 68.9 mt -128.88 127.51 66.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 109.269 -0.641 . . . . 25.0 109.269 -174.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 99.0 p -121.44 142.7 49.78 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.354 -0.609 . . . . 25.0 109.354 174.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -94.29 -22.9 23.52 Favored Glycine 0 C--O 1.235 0.202 0 C-N-CA 121.271 -0.49 . . . . 25.0 112.631 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 71.91 -157.97 53.24 Favored Glycine 0 C--O 1.244 0.719 0 C-N-CA 121.013 -0.613 . . . . 25.0 111.962 -178.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.43 170.1 13.95 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.111 -0.7 . . . . 25.0 109.111 178.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.37 171.53 48.23 Favored Glycine 0 C--O 1.238 0.394 0 N-CA-C 111.581 -0.607 . . . . 25.0 111.581 -179.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -90.77 118.4 30.16 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 107.637 -1.246 . . . . 25.0 107.637 -178.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -126.59 158.09 37.16 Favored 'General case' 0 C--O 1.24 0.581 0 N-CA-C 113.293 0.849 . . . . 50.0 113.293 -171.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 56.6 ttt85 -110.1 129.89 55.62 Favored 'General case' 0 CA--C 1.509 -0.624 0 N-CA-C 105.139 -2.171 . . . . 25.0 105.139 164.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.8 mp -116.03 140.5 49.21 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 103.335 -2.839 . . . . 25.0 103.335 172.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.424 ' HB3' ' HA ' ' A' ' 11' ' ' ILE . 35.0 t0 -141.05 131.54 25.34 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 104.745 -2.317 . . . . 25.0 104.745 177.232 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -101.34 -22.42 10.55 Favored Glycine 0 C--N 1.319 -0.403 0 N-CA-C 114.124 0.41 . . . . 25.0 114.124 -173.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 64.67 -155.93 47.1 Favored Glycine 0 C--O 1.245 0.834 0 C-N-CA 120.536 -0.84 . . . . 25.0 111.307 -174.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.33 174.92 8.16 Favored 'General case' 0 C--O 1.242 0.67 0 O-C-N 121.696 -0.885 . . . . 25.0 110.788 179.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 81.63 163.75 32.02 Favored Glycine 0 C--O 1.234 0.103 0 N-CA-C 110.468 -1.053 . . . . 25.0 110.468 -177.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -81.45 132.47 35.32 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 106.781 -1.563 . . . . 25.0 106.781 -179.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -134.52 153.89 51.72 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 113.604 0.964 . . . . 50.0 113.604 -172.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.7 mp -110.94 125.41 53.66 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.268 -1.382 . . . . 25.0 107.268 175.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.6 mp -125.16 108.39 11.73 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.177 0.513 . . . . 25.0 112.123 -176.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -96.92 105.76 17.96 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 109.525 -0.546 . . . . 25.0 109.525 177.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -62.59 -44.34 97.68 Favored Glycine 0 C--O 1.246 0.859 0 C-N-CA 120.481 -0.866 . . . . 25.0 113.358 -177.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.31 174.15 45.4 Favored Glycine 0 CA--C 1.518 0.257 0 O-C-N 122.136 -0.626 . . . . 25.0 111.759 -179.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.6 152.95 11.05 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 122.133 -0.628 . . . . 25.0 110.233 178.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 94.96 170.39 36.78 Favored Glycine 0 C--O 1.24 0.521 0 N-CA-C 110.08 -1.208 . . . . 25.0 110.08 -175.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.2 ptp85 -91.56 133.18 35.75 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 106.791 -1.559 . . . . 25.0 106.791 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -131.68 162.48 30.33 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 112.647 0.61 . . . . 50.0 112.647 -171.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -121.99 110.4 15.77 Favored 'General case' 0 CA--C 1.511 -0.533 0 N-CA-C 106.135 -1.802 . . . . 25.0 106.135 176.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.5 mp -107.98 105.67 15.55 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.343 -0.614 . . . . 25.0 109.343 -173.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.6 m -97.01 113.44 24.98 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.296 -1.001 . . . . 25.0 108.296 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -81.57 -39.81 11.78 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 119.658 -1.258 . . . . 25.0 112.786 -176.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.496 ' H ' ' HB2' ' A' ' 77' ' ' ASP . . . 74.64 -164.17 54.54 Favored Glycine 0 C--O 1.243 0.716 0 N-CA-C 111.04 -0.824 . . . . 25.0 111.04 -177.323 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.9 mp -63.88 154.09 34.84 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.39 -0.596 . . . . 25.0 109.39 178.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 95.86 166.08 34.45 Favored Glycine 0 C--O 1.244 0.735 0 N-CA-C 111.272 -0.731 . . . . 25.0 111.272 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -82.1 120.38 25.24 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 106.449 -1.686 . . . . 25.0 106.449 178.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -119.79 144.21 47.43 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 109.375 -0.602 . . . . 50.0 109.375 -175.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 6.8 t -114.35 128.03 56.15 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.362 -0.977 . . . . 25.0 108.362 175.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -109.21 121.52 45.34 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 105.714 -1.958 . . . . 25.0 105.714 -177.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 75.2 ttt-85 -132.67 146.39 51.83 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 114.559 1.318 . . . . 25.0 114.559 -163.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 35.0 p90 -77.12 152.35 34.97 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.016 -0.993 . . . . 25.0 111.28 176.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -108.18 -28.67 9.35 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 109.144 -0.687 . . . . 25.0 109.144 169.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -133.87 163.73 28.85 Favored 'General case' 0 C--O 1.214 -0.787 0 N-CA-C 106.787 -1.56 . . . . 25.0 106.787 178.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.22 -14.25 62.53 Favored 'General case' 0 C--O 1.212 -0.872 0 O-C-N 121.609 -0.682 . . . . 25.0 111.827 175.138 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -102.84 12.32 36.34 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.134 0.574 . . . . 25.0 111.216 -178.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -53.82 -36.21 62.27 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 113.814 1.042 . . . . 25.0 113.814 -175.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.8 p -142.45 100.59 3.72 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.887 -0.783 . . . . 25.0 108.887 178.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 36.0 p-80 -140.93 169.87 16.81 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.449 -0.341 . . . . 25.0 110.555 -176.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -135.88 149.68 49.09 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.724 -1.214 . . . . 25.0 107.724 176.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 99.3 p -155.21 170.67 8.3 Favored Pre-proline 0 C--N 1.321 -0.638 0 N-CA-C 106.016 -1.846 . . . . 25.0 106.016 -176.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -70.3 -8.16 22.95 Favored 'Trans proline' 0 CA--C 1.537 0.644 0 C-N-CA 115.115 -2.79 . . . . 25.0 113.579 176.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.9 mp -77.31 -11.92 59.89 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 109.75 -0.463 . . . . 25.0 109.75 175.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 141.59 175.3 15.0 Favored Glycine 0 N--CA 1.451 -0.302 0 CA-C-O 121.967 0.76 . . . . 25.0 112.929 178.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.5 t -97.55 131.48 44.11 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.94 -0.763 . . . . 25.0 108.94 177.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -126.18 22.38 7.23 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 107.46 -1.311 . . . . 25.0 107.46 -179.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 68.3 p -72.72 152.31 41.73 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.271 -0.877 . . . . 25.0 110.916 -178.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -96.24 155.42 16.77 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.201 -0.454 . . . . 50.0 109.832 177.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.6 mp -123.38 131.27 53.6 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 106.818 -1.549 . . . . 25.0 106.818 177.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 61.5 mt -108.0 144.88 15.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 106.538 -1.653 . . . . 25.0 106.538 -178.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -124.67 152.98 42.99 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 108.013 -1.106 . . . . 25.0 108.013 -175.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.496 ' HB2' ' H ' ' A' ' 49' ' ' GLY . 65.7 m-20 56.58 44.44 23.98 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-O 122.119 0.961 . . . . 25.0 110.137 178.616 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -83.74 123.94 30.37 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.674 -1.148 . . . . 25.0 112.174 -177.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -95.89 104.94 18.3 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.154 -0.93 . . . . 25.0 108.778 177.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_endo -69.64 -6.0 17.48 Favored 'Trans proline' 0 C--N 1.345 0.38 0 N-CA-C 115.095 1.152 . . . . 25.0 115.095 -177.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.1 m -101.66 -2.24 30.81 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.598 0.592 . . . . 25.0 112.598 178.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -142.11 -38.17 0.38 Allowed 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 115.158 1.54 . . . . 25.0 115.158 -174.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -77.36 157.5 30.61 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.327 0.585 . . . . 50.0 111.589 -172.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 22.6 tptt -129.55 151.57 50.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.505 . . . . 25.0 111.783 -176.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 33.1 mt -128.66 115.94 39.32 Favored 'Isoleucine or valine' 0 C--O 1.245 0.868 0 N-CA-C 109.699 -0.482 . . . . 25.0 109.699 179.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -88.72 112.97 23.78 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.497 -0.557 . . . . 25.0 109.497 178.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 16.4 m -130.11 29.16 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 107.693 -1.225 . . . . 25.0 107.693 175.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.21 -8.7 18.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.661 -1.154 . . . . 25.0 113.515 -177.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.25 -17.24 63.74 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.217 0.451 . . . . 25.0 112.217 177.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 15.5 mt -116.07 -58.4 2.11 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.728 0.775 . . . . 25.0 109.669 -176.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 77.03 177.12 45.03 Favored Glycine 0 CA--C 1.518 0.237 0 N-CA-C 108.587 -1.805 . . . . 25.0 108.587 -172.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -142.28 137.53 30.7 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.477 -0.934 . . . . 25.0 108.477 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 7.8 tp -94.69 -10.36 9.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.384 0.612 . . . . 25.0 111.199 -174.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -148.51 165.19 29.1 Favored Glycine 0 C--O 1.228 -0.241 0 C-N-CA 120.764 -0.731 . . . . 25.0 113.065 -178.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 77.2 mt -63.08 -28.63 70.21 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 116.577 2.066 . . . . 25.0 116.577 -171.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 147.34 87.21 0.07 OUTLIER Glycine 0 C--O 1.22 -0.736 0 N-CA-C 119.991 2.756 . . . . 25.0 119.991 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -118.95 1.14 11.45 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.007 0.523 . . . . 25.0 109.874 173.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 76.04 -8.37 23.81 Favored Glycine 0 N--CA 1.463 0.434 0 N-CA-C 116.286 1.274 . . . . 25.0 116.286 -178.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -141.42 167.76 21.39 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 107.779 -1.193 . . . . 25.0 107.779 -176.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 55.6 50.97 13.38 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.391 0.676 . . . . 25.0 111.409 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 71.52 25.68 74.75 Favored Glycine 0 C--O 1.226 -0.365 0 CA-C-N 115.665 -0.698 . . . . 25.0 114.475 174.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 34.7 p -127.58 166.6 17.73 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.101 -0.703 . . . . 25.0 109.101 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -102.2 168.57 9.27 Favored 'General case' 0 C--O 1.213 -0.849 0 N-CA-C 112.774 0.657 . . . . 25.0 112.774 -174.555 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -147.58 142.86 27.29 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 104.105 -2.554 . . . . 25.0 104.105 170.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 12.6 p -128.55 146.65 33.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 107.359 -1.348 . . . . 25.0 107.359 -179.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 56.4 p -149.2 164.14 35.62 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 106.842 -1.54 . . . . 25.0 106.842 178.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 54.4 mt -131.22 164.17 26.14 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.421 -0.955 . . . . 25.0 108.421 -176.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 84.3 p -75.36 171.74 13.7 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 106.508 -1.664 . . . . 25.0 106.508 169.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.84 -27.44 63.2 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 113.347 0.869 . . . . 25.0 113.347 -178.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -101.43 -1.36 33.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.39 0.614 . . . . 25.0 110.236 -175.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 72.48 2.63 55.8 Favored Glycine 0 CA--C 1.521 0.407 0 CA-C-N 115.787 -0.642 . . . . 25.0 112.787 -174.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 93.6 mt -77.43 -7.83 56.77 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 113.379 0.881 . . . . 25.0 113.379 -174.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -138.59 148.26 43.94 Favored 'General case' 0 CA--C 1.506 -0.73 0 N-CA-C 106.684 -1.599 . . . . 25.0 106.684 177.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 17.2 m -128.77 143.52 50.94 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 108.291 -1.003 . . . . 25.0 108.291 -178.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -127.93 138.47 52.65 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.297 -1.001 . . . . 25.0 108.297 178.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 68.6 mt -119.62 130.27 55.02 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 107.255 -1.387 . . . . 25.0 107.255 -178.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.69 133.49 43.6 Favored 'General case' 0 C--O 1.217 -0.654 0 N-CA-C 110.205 -0.294 . . . . 25.0 110.205 -179.342 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 39.0 t -144.72 155.55 43.62 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 106.789 -1.56 . . . . 25.0 106.789 174.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -137.84 101.58 4.49 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 106.415 -1.698 . . . . 25.0 106.415 174.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -75.61 130.37 38.68 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 104.527 -2.397 . . . . 25.0 104.527 176.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -136.58 14.55 3.18 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 107.781 -1.192 . . . . 25.0 107.781 -179.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.2 -31.6 14.69 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 105.981 -1.859 . . . . 25.0 105.981 -175.454 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -142.82 -55.77 0.42 Allowed 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 115.157 1.54 . . . . 25.0 115.157 179.113 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 -80.5 -34.63 35.58 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 113.324 0.861 . . . . 25.0 113.324 -173.101 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 68.1 39.03 88.78 Favored Glycine 0 CA--C 1.52 0.376 0 N-CA-C 110.988 -0.845 . . . . 25.0 110.988 -176.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 88.0 mmt-85 -133.96 153.27 51.89 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 122.296 -0.532 . . . . 25.0 110.723 -175.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 48.4 m -84.98 129.77 34.74 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.36 -0.978 . . . . 25.0 108.36 174.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -119.2 109.93 16.43 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 105.828 -1.916 . . . . 25.0 105.828 177.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -136.84 146.62 45.83 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.808 -0.633 . . . . 25.0 109.429 -169.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.6 mp -140.85 167.16 22.83 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 108.453 -0.943 . . . . 25.0 108.453 -177.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -139.15 152.34 47.36 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.836 -0.431 . . . . 25.0 109.836 175.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 64.5 mt -126.82 137.6 53.22 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 106.205 -1.776 . . . . 25.0 106.205 176.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -123.13 148.71 45.41 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.712 -0.477 . . . . 25.0 109.712 176.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 83.01 22.5 57.43 Favored Glycine 0 C--N 1.33 0.245 0 CA-C-O 121.68 0.6 . . . . 25.0 112.559 177.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 35.4 m120 -68.32 141.36 55.84 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.774 0.797 . . . . 25.0 112.35 -176.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -80.08 92.59 5.65 Favored 'General case' 0 C--O 1.217 -0.651 0 N-CA-C 107.304 -1.369 . . . . 25.0 107.304 173.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -60.26 -33.65 72.6 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.987 -0.746 . . . . 25.0 108.987 178.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.89 -27.82 69.07 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.241 -0.891 . . . . 25.0 111.91 178.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 69.8 p -129.02 33.43 4.59 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 112.398 0.518 . . . . 25.0 112.398 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.4 pp -62.75 149.61 43.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.434 0.635 . . . . 25.0 111.199 -175.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 40.4 t -152.43 156.15 38.94 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.719 -0.845 . . . . 25.0 108.719 -176.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -104.37 -2.39 25.53 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 122.577 0.351 . . . . 25.0 111.124 178.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -78.24 12.65 18.42 Favored Glycine 0 N--CA 1.463 0.463 0 N-CA-C 115.2 0.84 . . . . 25.0 115.2 -175.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -70.75 -20.85 62.58 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 113.202 0.816 . . . . 25.0 113.202 -176.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.41 HG13 ' H ' ' A' ' 145' ' ' ILE . 1.0 OUTLIER -70.56 142.48 15.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.391 0.615 . . . . 25.0 111.294 -176.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 9.6 p -58.8 -20.67 17.36 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 CA-C-N 115.4 -0.818 . . . . 25.0 112.66 179.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -71.16 -20.21 62.32 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.611 0.597 . . . . 25.0 112.611 -179.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . 54.67 -151.61 0.37 Allowed 'General case' 0 CA--C 1.534 0.329 0 O-C-N 123.613 0.57 . . . . 25.0 109.889 -177.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . 54.7 33.66 19.93 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 113.738 1.014 . . . . 25.0 113.738 177.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -76.67 78.14 3.32 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 121.125 0.488 . . . . 25.0 109.951 177.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 8.9 t -69.65 145.96 95.43 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.807 -0.633 . . . . 25.0 110.942 -178.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_endo -74.72 176.66 9.51 Favored 'Trans proline' 0 C--O 1.237 0.47 0 C-N-CA 117.562 -1.159 . . . . 25.0 110.488 171.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.221 0 N-CA-C 105.559 -3.016 . . . . 25.0 105.559 176.789 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 206' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.494 0 CA-C-O 118.303 -0.856 . . . . 25.0 109.474 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 49.83 -173.26 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.95 0 O-C-N 125.087 1.492 . . . . 25.0 112.553 -173.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -99.23 179.91 31.1 Favored Glycine 0 CA--C 1.511 -0.208 0 N-CA-C 115.515 0.966 . . . . 25.0 115.515 -173.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.6 t -123.52 -177.46 3.73 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 104.579 -2.378 . . . . 25.0 104.579 175.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -83.42 3.04 33.62 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 120.72 -1.237 . . . . 25.0 113.251 -177.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -86.09 -170.65 47.21 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 108.886 -1.686 . . . . 25.0 108.886 170.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 43.2 m-20 -82.44 136.37 34.94 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 118.796 1.298 . . . . 25.0 108.654 177.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -129.5 152.08 49.43 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 121.086 0.469 . . . . 50.0 111.703 -178.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 99.3 t -128.53 114.22 32.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 104.498 -2.408 . . . . 25.0 104.498 170.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 67.8 mt -130.79 140.98 50.33 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.473 -0.33 . . . . 25.0 110.576 -174.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 74.1 mt -130.68 129.85 64.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 107.242 -1.392 . . . . 25.0 107.242 179.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -86.44 -176.06 49.63 Favored Glycine 0 C--O 1.227 -0.33 0 CA-C-O 121.762 0.645 . . . . 25.0 113.395 -179.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 79.9 p -114.1 -179.78 3.73 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 123.557 0.743 . . . . 25.0 109.691 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -73.96 -12.58 60.69 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 115.302 1.593 . . . . 25.0 115.302 -175.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.3 m -84.71 168.38 1.7 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.438 0 N-CA-C 109.063 -0.717 . . . . 25.0 109.063 178.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.48 137.88 26.71 Favored Glycine 0 CA--C 1.517 0.193 0 N-CA-C 110.818 -0.913 . . . . 25.0 110.818 177.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -142.8 164.71 29.36 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.385 0.612 . . . . 50.0 112.055 -173.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -126.91 114.57 18.04 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 105.888 -1.893 . . . . 25.0 105.888 173.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 62.4 mt -128.37 123.7 60.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.352 -0.61 . . . . 25.0 109.352 -174.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 92.1 p -113.84 139.68 48.95 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.723 -0.473 . . . . 25.0 109.723 176.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -93.62 -25.75 17.25 Favored Glycine 0 C--O 1.227 -0.312 0 C-N-CA 121.337 -0.458 . . . . 25.0 113.868 -178.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.51 -158.55 53.3 Favored Glycine 0 C--O 1.242 0.655 0 CA-C-N 117.804 0.802 . . . . 25.0 112.054 -177.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.09 179.6 3.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 121.92 -0.753 . . . . 25.0 109.776 178.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.71 167.27 38.71 Favored Glycine 0 C--O 1.24 0.498 0 C-N-CA 121.279 -0.486 . . . . 25.0 112.078 -178.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -89.66 113.0 24.41 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 107.272 -1.381 . . . . 25.0 107.272 -179.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -119.43 164.21 16.08 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 113.801 1.038 . . . . 50.0 113.801 -171.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -128.51 114.31 16.6 Favored 'General case' 0 CA--C 1.511 -0.541 0 N-CA-C 105.768 -1.938 . . . . 25.0 105.768 172.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -112.22 139.81 47.45 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 106.154 -1.795 . . . . 25.0 106.154 -178.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -135.25 135.62 41.05 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 104.925 -2.25 . . . . 25.0 104.925 173.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -99.88 -20.92 15.06 Favored Glycine 0 N--CA 1.449 -0.434 0 O-C-N 123.258 0.349 . . . . 25.0 113.292 -176.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 64.6 -158.63 43.3 Favored Glycine 0 C--O 1.246 0.858 0 C-N-CA 120.88 -0.676 . . . . 25.0 111.842 -175.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.39 174.74 7.71 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.681 -0.893 . . . . 25.0 110.135 178.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 83.26 164.64 36.52 Favored Glycine 0 C--O 1.236 0.242 0 N-CA-C 110.927 -0.869 . . . . 25.0 110.927 -178.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -83.22 126.57 32.79 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 107.682 -1.229 . . . . 25.0 107.682 -178.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -131.41 151.67 51.33 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 114.614 1.339 . . . . 50.0 114.614 -171.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.0 mp -110.19 118.61 36.82 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 107.149 -1.426 . . . . 25.0 107.149 174.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.8 mp -123.71 115.9 22.17 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.52 0.676 . . . . 25.0 111.935 -177.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -104.13 115.87 31.19 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.037 -0.529 . . . . 25.0 109.69 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -71.33 -44.3 52.4 Favored Glycine 0 C--O 1.246 0.849 0 C-N-CA 120.712 -0.756 . . . . 25.0 113.727 -176.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.02 178.32 41.42 Favored Glycine 0 CA--C 1.522 0.487 0 C-N-CA 121.329 -0.462 . . . . 25.0 112.625 -178.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.69 154.92 10.78 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.91 -0.759 . . . . 25.0 110.421 179.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 97.13 172.84 34.16 Favored Glycine 0 C--O 1.239 0.434 0 N-CA-C 110.344 -1.102 . . . . 25.0 110.344 -176.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.9 ptp85 -99.33 118.46 36.03 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 107.576 -1.268 . . . . 25.0 107.576 -178.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -122.07 167.48 13.09 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 113.392 0.886 . . . . 50.0 113.392 -166.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -127.01 132.01 50.87 Favored 'General case' 0 CA--C 1.509 -0.631 0 N-CA-C 104.199 -2.519 . . . . 25.0 104.199 176.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.9 mp -131.64 99.13 4.69 Favored 'General case' 0 C--N 1.321 -0.653 0 O-C-N 123.658 0.599 . . . . 25.0 110.479 -175.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 28.7 m -87.97 115.91 25.77 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 107.84 -1.17 . . . . 25.0 107.84 178.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -83.05 -42.19 8.21 Favored Glycine 0 C--O 1.238 0.385 0 C-N-CA 119.861 -1.161 . . . . 25.0 111.001 -179.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.54 -163.89 53.01 Favored Glycine 0 C--O 1.242 0.617 0 N-CA-C 111.404 -0.678 . . . . 25.0 111.404 -179.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.9 mt -62.43 154.54 28.0 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 121.058 0.456 . . . . 25.0 110.869 178.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 94.58 164.53 35.76 Favored Glycine 0 C--O 1.245 0.816 0 N-CA-C 110.553 -1.019 . . . . 25.0 110.553 -178.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.38 122.57 28.65 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 106.017 -1.846 . . . . 25.0 106.017 178.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -121.18 152.05 39.23 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 109.523 -0.547 . . . . 50.0 109.523 -175.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.1 t -123.18 138.73 54.58 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.106 -1.072 . . . . 25.0 108.106 174.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -119.29 129.01 54.68 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 107.848 -1.168 . . . . 25.0 107.848 -176.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 53.7 ttt85 -131.29 141.88 50.04 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 115.613 1.708 . . . . 25.0 115.613 -169.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 48.0 p90 -73.51 162.43 29.27 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 114.648 -1.16 . . . . 25.0 111.699 174.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -128.02 -5.14 5.61 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 116.386 -0.37 . . . . 25.0 110.833 166.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 21.5 tp -157.22 167.02 31.58 Favored 'General case' 0 C--O 1.22 -0.466 0 N-CA-C 107.885 -1.154 . . . . 25.0 107.885 -176.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 36.3 ptt180 -78.66 -23.34 45.78 Favored 'General case' 0 C--O 1.206 -1.204 0 CA-C-N 119.083 0.856 . . . . 25.0 110.404 173.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -97.95 17.09 19.05 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 123.086 1.422 . . . . 25.0 109.302 -176.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -63.11 -34.98 78.78 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 113.32 -1.764 . . . . 25.0 110.841 176.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.0 t -145.7 100.33 3.41 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 105.714 -1.958 . . . . 25.0 105.714 175.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 25.3 t-80 -155.56 114.7 3.57 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.367 -0.975 . . . . 25.0 108.367 -168.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.8 mtm180 -104.02 125.25 50.24 Favored 'General case' 0 C--O 1.217 -0.622 0 CA-C-O 121.004 0.43 . . . . 25.0 109.964 -176.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 60.3 p -149.26 160.64 34.26 Favored Pre-proline 0 C--N 1.326 -0.441 0 N-CA-C 108.064 -1.087 . . . . 25.0 108.064 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -71.53 -15.96 30.65 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 117.13 -1.447 . . . . 25.0 113.048 178.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 75.3 mt -82.22 -7.52 59.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.463 0.649 . . . . 25.0 110.374 179.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 159.69 106.39 0.22 Allowed Glycine 0 N--CA 1.449 -0.461 0 N-CA-C 108.985 -1.646 . . . . 25.0 108.985 -177.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.6 t -97.32 118.11 33.05 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.636 0.732 . . . . 25.0 110.828 -177.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -125.55 137.61 53.93 Favored 'General case' 0 C--O 1.216 -0.704 0 N-CA-C 105.76 -1.941 . . . . 25.0 105.76 177.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 45.0 t -153.86 147.61 25.32 Favored 'General case' 0 CA--C 1.492 -1.286 0 N-CA-C 104.214 -2.513 . . . . 25.0 104.214 178.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -104.29 150.51 24.38 Favored 'General case' 0 C--N 1.312 -1.026 0 N-CA-C 107.848 -1.167 . . . . 50.0 107.848 176.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.72 132.66 55.18 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 106.193 -1.78 . . . . 25.0 106.193 178.384 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 38.9 mt -107.92 142.25 21.09 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.718 0 N-CA-C 103.368 -2.827 . . . . 25.0 103.368 175.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -124.12 149.93 45.67 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 106.836 -1.542 . . . . 25.0 106.836 -175.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 53.54 47.78 23.2 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 122.354 1.073 . . . . 25.0 108.88 -178.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -80.18 130.04 34.93 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.303 -1.317 . . . . 25.0 110.957 -176.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -105.69 91.07 4.72 Favored Pre-proline 0 C--N 1.324 -0.511 0 N-CA-C 108.709 -0.848 . . . . 25.0 108.709 177.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -66.66 -2.02 6.81 Favored 'Trans proline' 0 CA--C 1.534 0.52 0 N-CA-C 115.221 1.2 . . . . 25.0 115.221 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.9 t -99.38 -4.39 31.7 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 112.085 0.402 . . . . 25.0 112.085 176.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 60.8 mm-40 -139.87 -34.07 0.57 Allowed 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 114.341 1.237 . . . . 25.0 114.341 -173.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -82.47 175.21 10.39 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.314 0.578 . . . . 50.0 111.572 -171.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 39.4 tptt -144.45 146.13 32.28 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 122.153 -0.342 . . . . 25.0 110.262 -179.045 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 41.8 mt -127.09 121.19 57.29 Favored 'Isoleucine or valine' 0 C--O 1.243 0.727 0 CA-C-O 121.517 0.675 . . . . 25.0 110.31 178.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.34 122.52 30.42 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.082 -1.081 . . . . 25.0 108.082 176.011 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 26.9 m -131.67 16.95 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 CA-C-O 121.062 0.458 . . . . 25.0 112.233 -177.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.2 t -55.18 -38.73 68.72 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 114.65 1.352 . . . . 25.0 114.65 -173.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.15 -22.94 62.94 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 112.855 0.687 . . . . 25.0 112.855 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 23.4 mt -81.48 -59.26 2.68 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 106.364 -1.717 . . . . 25.0 106.364 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 79.03 141.5 2.1 Favored Glycine 0 C--O 1.222 -0.602 0 CA-C-N 114.463 -1.244 . . . . 25.0 111.902 -178.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -148.69 154.49 39.71 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 102.996 -2.964 . . . . 25.0 102.996 177.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 10.5 tp -142.1 -31.92 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 N-CA-C 113.579 0.955 . . . . 25.0 113.579 -176.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -92.75 170.33 32.07 Favored Glycine 0 C--O 1.222 -0.599 0 C-N-CA 120.959 -0.639 . . . . 25.0 112.273 -178.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 89.8 mt -81.65 -97.97 0.04 OUTLIER 'General case' 0 C--O 1.218 -0.605 0 N-CA-C 115.063 1.505 . . . . 25.0 115.063 -175.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -142.74 44.93 0.94 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 119.77 2.668 . . . . 25.0 119.77 -166.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -110.71 -0.85 16.95 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 119.047 1.423 . . . . 25.0 112.049 178.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 75.71 -1.07 59.55 Favored Glycine 0 N--CA 1.46 0.286 0 N-CA-C 117.297 1.679 . . . . 25.0 117.297 178.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.43 ' HA ' ' HB3' ' A' ' 119' ' ' TYR . 96.3 m-85 -136.77 160.13 39.78 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 117.634 0.717 . . . . 25.0 110.597 -178.009 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 52.98 49.13 20.87 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 113.007 0.744 . . . . 25.0 113.007 176.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 83.71 -0.98 89.35 Favored Glycine 0 N--CA 1.453 -0.202 0 N-CA-C 114.791 0.676 . . . . 25.0 114.791 176.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 34.6 p -100.23 159.0 15.46 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 107.467 -1.309 . . . . 25.0 107.467 179.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 74.9 mt -99.43 164.43 12.1 Favored 'General case' 0 C--O 1.215 -0.76 0 N-CA-C 113.375 0.88 . . . . 25.0 113.375 -171.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -132.37 121.28 23.24 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 105.384 -2.08 . . . . 25.0 105.384 169.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 7.3 p -109.6 142.33 22.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 N-CA-C 106.621 -1.622 . . . . 25.0 106.621 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 47.8 p -139.73 155.87 47.1 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 107.139 -1.43 . . . . 25.0 107.139 178.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 61.9 mt -133.45 160.62 36.86 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.987 -0.745 . . . . 25.0 108.987 -174.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 16.1 p -77.0 171.35 14.94 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 106.937 -1.505 . . . . 25.0 106.937 169.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.11 -14.77 57.09 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 113.983 1.105 . . . . 25.0 113.983 -178.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 10.7 p30 -114.0 1.69 14.76 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.763 -0.828 . . . . 25.0 108.763 -178.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 68.78 2.79 31.37 Favored Glycine 0 CA--C 1.519 0.302 0 CA-C-N 115.632 -0.713 . . . . 25.0 114.367 -178.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 97.6 mt -75.09 -16.2 60.57 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 117.461 0.63 . . . . 25.0 112.0 -174.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 56.2 mtt-85 -122.53 143.2 49.87 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 106.349 -1.722 . . . . 25.0 106.349 176.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 13.6 m -137.07 142.66 42.38 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.11 -1.07 . . . . 25.0 108.11 -177.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -131.74 140.37 49.24 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.168 -1.049 . . . . 25.0 108.168 178.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 83.9 mt -120.0 127.74 52.89 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.622 -0.881 . . . . 25.0 108.622 -178.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 4.2 tmtt? -124.07 147.9 47.51 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 106.451 -1.685 . . . . 25.0 106.451 -178.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 17.3 t -143.44 163.06 34.15 Favored 'General case' 0 C--O 1.241 0.623 0 N-CA-C 105.84 -1.911 . . . . 25.0 105.84 173.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.43 ' HB3' ' HA ' ' A' ' 99' ' ' TYR . 88.9 t80 -140.86 107.62 5.37 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 106.304 -1.739 . . . . 25.0 106.304 173.177 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -121.77 137.51 54.74 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 107.494 -1.298 . . . . 25.0 107.494 -171.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -136.74 10.72 3.14 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 113.715 1.006 . . . . 25.0 113.715 -178.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -72.31 -34.27 68.0 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 114.764 -1.107 . . . . 25.0 109.667 -178.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -120.79 79.63 1.52 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.229 -0.896 . . . . 25.0 111.462 -177.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? 55.72 31.13 16.87 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.745 1.017 . . . . 25.0 113.745 174.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 68.91 17.35 71.43 Favored Glycine 0 N--CA 1.461 0.301 0 N-CA-C 115.589 0.996 . . . . 25.0 115.589 176.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 22.0 mmt85 -79.98 109.83 14.79 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 117.887 0.844 . . . . 25.0 108.849 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 42.4 m -110.28 147.24 34.24 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.141 -0.689 . . . . 25.0 109.141 -178.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -116.87 133.67 55.72 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.353 0.597 . . . . 25.0 110.98 -174.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -141.75 145.8 35.24 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.654 -0.869 . . . . 25.0 108.654 -171.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.8 mp -142.21 172.6 12.47 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 122.701 0.401 . . . . 25.0 110.836 -173.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -144.29 152.76 41.23 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 109.993 -0.373 . . . . 25.0 109.993 174.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 51.6 mt -132.07 149.01 52.52 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.091 -1.448 . . . . 25.0 107.091 177.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -143.39 158.15 43.87 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.017 -1.105 . . . . 25.0 108.017 174.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 71.48 24.84 76.37 Favored Glycine 0 C--O 1.224 -0.53 0 N-CA-C 109.813 -1.315 . . . . 25.0 109.813 -175.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -75.76 130.77 39.15 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.337 0.495 . . . . 25.0 112.337 -175.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -77.57 88.83 3.89 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.036 -0.727 . . . . 25.0 109.036 172.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -60.54 -30.88 70.03 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.519 -0.764 . . . . 25.0 109.649 177.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -60.25 -26.46 66.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.159 -0.928 . . . . 25.0 110.962 177.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 74.0 p -127.22 31.25 5.27 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 112.704 0.631 . . . . 25.0 112.704 178.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.5 pp -63.3 142.69 58.29 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 120.46 -0.496 . . . . 25.0 110.211 -177.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 46.8 t -156.08 148.76 23.92 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.965 0.412 . . . . 25.0 111.844 -176.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -83.04 -9.17 59.39 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 121.097 0.475 . . . . 25.0 110.462 176.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -65.02 -12.84 56.22 Favored Glycine 0 CA--C 1.519 0.334 0 N-CA-C 114.864 0.706 . . . . 25.0 114.864 -176.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 58.6 m-80 -67.28 -24.4 65.78 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.858 0.361 . . . . 25.0 111.811 179.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 64.7 mt -73.38 136.21 25.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 108.626 -0.879 . . . . 25.0 108.626 -176.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 9.9 p -56.31 -24.55 18.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 N-CA-C 114.34 1.237 . . . . 25.0 114.34 -177.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -66.95 -29.0 68.74 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 121.836 -0.54 . . . . 25.0 112.006 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . 52.34 -152.27 0.26 Allowed 'General case' 0 CA--C 1.54 0.586 0 O-C-N 123.507 0.504 . . . . 25.0 111.318 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . 53.27 32.35 13.37 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.489 1.292 . . . . 25.0 114.489 176.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -64.12 134.86 55.7 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.501 -0.926 . . . . 25.0 108.501 177.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 7.8 t -71.89 144.57 88.13 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 108.138 -1.06 . . . . 25.0 108.138 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -74.29 161.66 40.02 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 116.836 -1.642 . . . . 25.0 112.312 179.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.297 0 N-CA-C 105.677 -2.969 . . . . 25.0 105.677 178.724 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 206' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 118.307 -0.854 . . . . 25.0 109.41 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 50.27 -175.45 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.07 0 O-C-N 124.953 1.408 . . . . 25.0 113.488 -175.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -97.13 166.03 23.14 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.889 -0.672 . . . . 25.0 113.225 -178.199 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.8 t -107.53 -176.99 3.22 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 104.623 -2.362 . . . . 25.0 104.623 175.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -83.75 1.38 43.08 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 120.808 -1.182 . . . . 25.0 112.488 -179.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -84.1 -172.06 48.54 Favored Glycine 0 C--N 1.318 -0.453 0 N-CA-C 108.593 -1.803 . . . . 25.0 108.593 169.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 56.6 m-20 -82.81 135.46 34.95 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 118.649 1.225 . . . . 25.0 108.703 178.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -128.57 155.77 44.4 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 120.988 0.423 . . . . 50.0 111.977 -178.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 88.6 t -124.99 110.19 24.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 104.995 -2.224 . . . . 25.0 104.995 169.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.5 mt -118.91 130.68 55.86 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.057 -1.09 . . . . 25.0 108.057 -175.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.417 ' HA ' ' HB3' ' A' ' 29' ' ' ASP . 87.3 mt -134.12 128.8 53.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 107.626 -1.25 . . . . 25.0 107.626 -179.645 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -89.84 -172.44 45.12 Favored Glycine 0 C--N 1.329 0.161 0 CA-C-O 121.961 0.756 . . . . 25.0 114.589 -177.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.2 t -118.08 -169.91 1.78 Allowed 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.731 0.813 . . . . 25.0 110.339 -179.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -70.11 -29.04 65.89 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 114.087 1.144 . . . . 25.0 114.087 -176.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.7 m -70.38 162.73 3.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.567 -0.288 . . . . 25.0 110.494 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.26 137.79 25.56 Favored Glycine 0 C--O 1.229 -0.215 0 N-CA-C 109.917 -1.273 . . . . 25.0 109.917 177.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -141.45 162.4 35.57 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 121.371 0.605 . . . . 50.0 112.532 -172.501 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -125.04 118.74 26.86 Favored 'General case' 0 C--N 1.323 -0.543 0 N-CA-C 106.057 -1.831 . . . . 25.0 106.057 175.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 59.7 mt -128.26 126.32 65.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 110.138 -0.319 . . . . 25.0 110.138 -171.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 70.3 p -122.63 132.13 54.14 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 122.278 -0.264 . . . . 25.0 110.402 178.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -92.74 -24.58 22.9 Favored Glycine 0 CA--C 1.518 0.235 0 N-CA-C 115.738 1.055 . . . . 25.0 115.738 -176.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.82 -159.26 53.54 Favored Glycine 0 C--O 1.245 0.824 0 CA-C-N 118.164 0.982 . . . . 25.0 112.152 -178.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.79 179.88 3.44 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 121.645 -0.915 . . . . 25.0 109.605 178.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.0 168.87 40.58 Favored Glycine 0 C--O 1.244 0.739 0 C-N-CA 121.39 -0.433 . . . . 25.0 112.03 -178.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.405 ' HB3' HH12 ' A' ' 45' ' ' ARG . 46.4 m-20 -90.77 112.18 23.86 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 108.266 -1.012 . . . . 25.0 108.266 -178.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -121.08 165.37 15.41 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 114.292 1.219 . . . . 50.0 114.292 -171.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -117.32 135.08 54.1 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 104.803 -2.295 . . . . 25.0 104.803 164.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.5 mp -123.48 143.64 50.04 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 103.038 -2.949 . . . . 25.0 103.038 173.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.417 ' HB3' ' HA ' ' A' ' 11' ' ' ILE . 16.9 t0 -145.07 135.12 23.84 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 106.364 -1.717 . . . . 25.0 106.364 177.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -104.44 -24.17 7.61 Favored Glycine 0 N--CA 1.446 -0.657 0 O-C-N 123.363 0.414 . . . . 25.0 113.411 -175.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 63.04 -150.28 49.01 Favored Glycine 0 CA--C 1.526 0.765 0 C-N-CA 120.396 -0.907 . . . . 25.0 112.206 -175.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.33 170.62 12.75 Favored 'General case' 0 C--O 1.243 0.739 0 O-C-N 121.771 -0.84 . . . . 25.0 111.086 179.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 81.55 166.91 37.74 Favored Glycine 0 CA--C 1.515 0.089 0 N-CA-C 111.248 -0.741 . . . . 25.0 111.248 -178.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -84.1 130.16 34.87 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 106.206 -1.776 . . . . 25.0 106.206 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -132.89 152.95 51.79 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 112.783 0.66 . . . . 50.0 112.783 -173.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.5 mp -114.99 119.89 38.02 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.139 -1.06 . . . . 25.0 108.139 176.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.6 mp -121.61 131.57 54.19 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 111.646 0.239 . . . . 25.0 111.646 -176.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -121.79 110.62 16.13 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.13 0.572 . . . . 25.0 109.462 177.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -70.22 -36.98 71.5 Favored Glycine 0 C--O 1.244 0.729 0 C-N-CA 120.644 -0.789 . . . . 25.0 114.506 -175.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.97 -177.8 44.47 Favored Glycine 0 CA--C 1.523 0.586 0 CA-C-N 117.009 0.404 . . . . 25.0 112.58 -177.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.19 157.2 10.91 Favored 'General case' 0 CA--C 1.546 0.814 0 O-C-N 121.722 -0.869 . . . . 25.0 110.642 178.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.11 172.42 44.76 Favored Glycine 0 C--O 1.241 0.556 0 N-CA-C 109.989 -1.244 . . . . 25.0 109.989 -176.2 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.6 ptp85 -91.65 135.57 33.78 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 106.944 -1.502 . . . . 25.0 106.944 179.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -135.68 167.2 21.57 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.0 0.429 . . . . 50.0 112.145 -172.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.405 HH12 ' HB3' ' A' ' 25' ' ' ASP . 0.3 OUTLIER -125.26 108.99 12.28 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 105.707 -1.96 . . . . 25.0 105.707 178.73 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.5 mp -106.29 95.75 5.99 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 109.377 -0.601 . . . . 25.0 109.377 -173.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.413 ' HB ' ' HA ' ' A' ' 29' ' ' ASP . 18.1 m -88.07 114.45 24.7 Favored 'General case' 0 C--N 1.32 -0.681 0 O-C-N 121.95 -0.469 . . . . 25.0 110.182 -177.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -86.58 -41.71 6.76 Favored Glycine 0 CA--C 1.509 -0.313 0 C-N-CA 120.1 -1.047 . . . . 25.0 112.552 -178.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.07 -161.06 54.14 Favored Glycine 0 C--O 1.239 0.432 0 N-CA-C 111.127 -0.789 . . . . 25.0 111.127 -179.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.6 mt -62.67 155.97 24.84 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.327 0.584 . . . . 25.0 111.169 178.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.19 166.35 32.68 Favored Glycine 0 C--O 1.245 0.834 0 CA-C-N 115.087 -0.96 . . . . 25.0 112.197 -179.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -86.54 106.81 17.79 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 106.537 -1.653 . . . . 25.0 106.537 178.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -109.34 153.55 23.76 Favored 'General case' 0 C--N 1.313 -1.008 0 N-CA-C 109.478 -0.564 . . . . 50.0 109.478 -173.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.0 t -124.64 142.31 51.46 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.818 0.818 . . . . 25.0 109.244 172.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -118.78 120.9 38.75 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.799 -1.091 . . . . 25.0 108.257 -176.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -113.05 134.93 54.3 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.127 0.489 . . . . 25.0 111.468 -171.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -89.06 151.64 22.13 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.63 -0.878 . . . . 25.0 108.63 176.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -103.69 -48.21 4.01 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 112.946 0.721 . . . . 25.0 112.946 179.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.4 mp -132.57 165.95 23.21 Favored 'General case' 0 C--O 1.21 -1.023 0 N-CA-C 107.773 -1.195 . . . . 25.0 107.773 -176.163 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 38.1 ptt180 -63.64 -23.0 67.2 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 121.05 -1.031 . . . . 25.0 111.178 175.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -86.48 9.26 18.8 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.892 -0.594 . . . . 25.0 112.239 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -65.93 -30.85 71.5 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.392 -0.367 . . . . 25.0 110.355 177.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 58.9 p -148.05 123.28 10.22 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 109.664 -0.495 . . . . 25.0 109.664 178.322 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -155.52 153.21 29.87 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 108.524 -0.917 . . . . 25.0 108.524 -175.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 25.2 mtm180 -132.67 150.19 52.19 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 119.355 0.979 . . . . 25.0 108.617 175.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 85.1 p -152.9 168.0 12.28 Favored Pre-proline 0 C--N 1.321 -0.635 0 N-CA-C 108.706 -0.85 . . . . 25.0 108.706 -172.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -70.61 -11.53 29.88 Favored 'Trans proline' 0 C--N 1.352 0.75 0 C-N-CA 116.764 -1.691 . . . . 25.0 112.988 175.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 69.2 mt -81.11 -6.2 58.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.847 0.356 . . . . 25.0 110.392 177.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 136.73 170.6 11.98 Favored Glycine 0 C--O 1.24 0.507 0 N-CA-C 111.639 -0.584 . . . . 25.0 111.639 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.3 t -91.55 140.42 29.76 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.184 -0.673 . . . . 25.0 109.184 177.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -130.92 20.84 4.96 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 106.367 -1.716 . . . . 25.0 106.367 177.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 86.3 p -82.11 151.62 26.91 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 108.641 -0.874 . . . . 25.0 108.641 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -83.53 160.66 21.43 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.225 -0.657 . . . . 50.0 109.225 177.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.3 mp -119.81 128.67 53.92 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 104.438 -2.43 . . . . 25.0 104.438 170.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 52.5 mt -96.98 139.5 19.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 101.903 -3.369 . . . . 25.0 101.903 172.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -115.19 143.61 44.97 Favored 'General case' 0 C--N 1.311 -1.066 0 N-CA-C 108.709 -0.849 . . . . 25.0 108.709 -173.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 57.43 45.6 19.51 Favored 'General case' 0 C--O 1.243 0.752 0 O-C-N 124.59 1.181 . . . . 25.0 108.995 178.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -80.39 124.9 29.28 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.898 -1.047 . . . . 25.0 110.228 -178.128 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -101.01 98.07 8.02 Favored Pre-proline 0 C--N 1.317 -0.812 0 CA-C-N 114.961 -1.018 . . . . 25.0 108.817 178.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -64.58 -12.43 33.56 Favored 'Trans proline' 0 CA--C 1.536 0.612 0 N-CA-C 114.429 0.896 . . . . 25.0 114.429 179.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 48.3 t -85.22 -11.45 54.89 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 112.673 0.619 . . . . 25.0 112.673 176.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 90.6 mm-40 -134.94 -36.99 0.81 Allowed 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 114.451 1.278 . . . . 25.0 114.451 -172.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -87.77 161.83 17.36 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 113.315 0.858 . . . . 50.0 113.315 -169.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.5 tptt -131.39 154.42 48.65 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.227 -0.442 . . . . 25.0 111.901 -177.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 68.1 mt -127.62 115.52 40.08 Favored 'Isoleucine or valine' 0 C--O 1.241 0.618 0 CA-C-O 121.084 0.469 . . . . 25.0 110.268 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -95.48 108.37 20.59 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 123.316 0.646 . . . . 25.0 110.439 177.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.7 m -135.9 159.69 39.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 108.189 -1.041 . . . . 25.0 108.189 178.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 41.3 t -156.91 -62.59 0.1 Allowed 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 114.336 1.236 . . . . 25.0 114.336 178.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.88 14.23 0.3 Allowed 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 116.08 1.882 . . . . 25.0 116.08 -170.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 18.7 mt -83.55 -31.85 26.17 Favored 'General case' 0 C--O 1.216 -0.659 0 N-CA-C 106.466 -1.679 . . . . 25.0 106.466 176.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 77.94 28.47 56.53 Favored Glycine 0 CA--C 1.521 0.447 0 N-CA-C 117.952 1.941 . . . . 25.0 117.952 171.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -62.54 134.39 56.31 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.265 -1.013 . . . . 25.0 108.265 176.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 10.4 tp -137.56 -28.92 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 N-CA-C 114.841 1.423 . . . . 25.0 114.841 -170.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.781 ' HA3' HG22 ' A' ' 102' ' ' THR . . . -88.12 163.17 32.9 Favored Glycine 0 C--O 1.222 -0.597 0 C-N-CA 120.097 -1.049 . . . . 25.0 114.973 -176.207 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 75.3 mt -58.24 -36.04 72.6 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 116.218 1.933 . . . . 25.0 116.218 -172.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 138.54 72.31 0.05 OUTLIER Glycine 0 CA--C 1.521 0.442 0 N-CA-C 119.07 2.388 . . . . 25.0 119.07 177.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -111.79 -4.79 14.53 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 122.188 -0.595 . . . . 25.0 110.427 175.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 83.48 -0.84 89.45 Favored Glycine 0 N--CA 1.46 0.26 0 N-CA-C 115.941 1.136 . . . . 25.0 115.941 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.417 ' HA ' ' HB3' ' A' ' 119' ' ' TYR . 93.7 m-85 -142.67 156.01 44.99 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.632 -0.877 . . . . 25.0 108.632 -178.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 58.3 51.06 8.77 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 113.841 1.052 . . . . 25.0 113.841 177.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 77.68 16.54 80.01 Favored Glycine 0 CA--C 1.508 -0.394 0 C-N-CA 120.841 -0.695 . . . . 25.0 113.41 173.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.781 HG22 ' HA3' ' A' ' 94' ' ' GLY . 13.3 p -122.45 138.23 54.61 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 106.581 -1.636 . . . . 25.0 106.581 -178.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 36.3 mt -91.17 147.25 23.19 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 116.412 2.005 . . . . 25.0 116.412 -171.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -139.12 156.89 46.82 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 106.627 -1.62 . . . . 25.0 106.627 169.045 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 59.7 t -127.04 135.4 63.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 107.905 -1.146 . . . . 25.0 107.905 -177.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 84.5 p -130.28 157.11 43.41 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 107.123 -1.436 . . . . 25.0 107.123 176.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.6 mp -134.38 165.94 23.98 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 110.041 -0.355 . . . . 25.0 110.041 -175.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 97.1 p -76.35 171.66 14.21 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.215 -1.402 . . . . 25.0 107.215 171.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.37 -32.83 67.18 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 113.23 0.826 . . . . 25.0 113.23 -177.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -99.12 0.62 43.91 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.546 0.689 . . . . 25.0 110.518 -175.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 73.18 4.36 63.39 Favored Glycine 0 C--N 1.322 -0.199 0 CA-C-N 115.283 -0.871 . . . . 25.0 113.047 -175.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 72.9 mt -71.31 -18.79 62.39 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 113.664 0.987 . . . . 25.0 113.664 -175.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 -132.24 146.89 52.32 Favored 'General case' 0 CA--C 1.501 -0.926 0 N-CA-C 107.227 -1.397 . . . . 25.0 107.227 176.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 29.4 m -136.2 146.71 47.11 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 107.894 -1.15 . . . . 25.0 107.894 -175.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -133.37 145.72 50.61 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.186 -1.042 . . . . 25.0 108.186 178.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 5.0 mp -123.11 128.63 50.36 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 107.137 -1.431 . . . . 25.0 107.137 -178.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -128.38 134.11 48.76 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.436 -0.347 . . . . 25.0 110.812 -175.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 20.8 t -120.14 -28.46 5.09 Favored 'General case' 0 N--CA 1.468 0.474 0 O-C-N 123.871 0.732 . . . . 25.0 111.747 176.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.417 ' HB3' ' HA ' ' A' ' 99' ' ' TYR . 6.5 t80 43.05 55.12 4.64 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 122.164 0.983 . . . . 25.0 112.601 -177.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.73 137.12 57.06 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.689 -1.141 . . . . 25.0 109.279 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.414 ' HA ' ' HA2' ' A' ' 125' ' ' GLY . . . -146.37 13.05 1.22 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 122.275 1.036 . . . . 25.0 109.532 177.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -81.3 -13.07 58.82 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 113.704 -1.589 . . . . 25.0 114.069 -166.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -132.96 -64.41 0.74 Allowed 'General case' 0 C--O 1.215 -0.73 0 CA-C-O 121.281 0.562 . . . . 25.0 112.43 179.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 -102.84 -5.68 23.35 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.87 0.693 . . . . 25.0 112.87 -176.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.414 ' HA2' ' HA ' ' A' ' 121' ' ' ALA . . . 68.07 32.26 76.49 Favored Glycine 0 CA--C 1.525 0.694 0 C-N-CA 120.707 -0.758 . . . . 25.0 111.55 -175.552 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 87.7 mmt-85 -134.31 142.45 47.27 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 105.723 -1.955 . . . . 25.0 105.723 -177.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 68.8 p -118.14 139.62 50.99 Favored 'General case' 0 C--O 1.244 0.773 0 N-CA-C 116.563 2.06 . . . . 25.0 116.563 -169.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -99.98 125.06 45.95 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 107.822 -1.177 . . . . 25.0 107.822 175.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -143.29 151.06 40.08 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 105.922 -1.881 . . . . 25.0 105.922 -177.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.2 mp -131.23 167.57 18.96 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 120.706 0.289 . . . . 25.0 111.293 -171.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -139.88 155.08 47.39 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.402 -0.592 . . . . 25.0 109.402 178.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.52 ' HB3' HD21 ' A' ' 135' ' ' ASN . 67.5 mt -136.61 155.58 49.72 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 106.197 -1.779 . . . . 25.0 106.197 176.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -145.3 153.38 41.21 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 107.584 -1.265 . . . . 25.0 107.584 -177.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 67.5 42.59 88.61 Favored Glycine 0 C--O 1.226 -0.355 0 N-CA-C 109.995 -1.242 . . . . 25.0 109.995 -177.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . 0.52 HD21 ' HB3' ' A' ' 132' ' ' LEU . 31.2 m120 -90.89 145.0 25.11 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 114.505 1.298 . . . . 25.0 114.505 -173.453 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 68.1 m80 -103.32 77.46 1.52 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.318 -1.31 . . . . 25.0 108.997 175.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -63.88 -25.49 68.18 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.662 -0.699 . . . . 25.0 109.871 178.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -62.14 -25.2 67.61 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 116.131 -0.486 . . . . 25.0 111.207 176.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 80.6 p -119.83 32.04 6.25 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 116.84 -0.164 . . . . 25.0 111.213 178.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.6 pp -56.81 154.93 8.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.785 0.802 . . . . 25.0 113.061 -175.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 42.1 t -149.63 151.99 34.68 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 107.375 -1.342 . . . . 25.0 107.375 179.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -92.04 -15.89 27.22 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.453 0.644 . . . . 25.0 109.988 177.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -85.3 26.13 5.83 Favored Glycine 0 C--O 1.225 -0.468 0 N-CA-C 115.481 0.953 . . . . 25.0 115.481 -174.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -66.06 -33.83 76.68 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.493 0.663 . . . . 25.0 111.297 -178.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -74.57 146.49 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.707 0.765 . . . . 25.0 112.432 -177.033 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 9.1 p -61.51 -19.58 21.08 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 CA-C-N 115.488 -0.778 . . . . 25.0 111.887 179.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -64.74 -25.47 67.94 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 122.296 -0.252 . . . . 25.0 111.556 179.261 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . 52.46 -147.36 0.46 Allowed 'General case' 0 CA--C 1.534 0.34 0 O-C-N 123.56 0.538 . . . . 25.0 110.291 -178.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . 59.32 13.02 2.89 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 115.719 1.748 . . . . 25.0 115.719 175.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -79.15 53.49 1.46 Allowed 'General case' 0 CA--C 1.542 0.665 0 CA-C-O 121.289 0.566 . . . . 25.0 111.509 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 15.1 t -81.85 144.77 52.39 Favored Pre-proline 0 CA--C 1.54 0.566 0 CA-C-N 116.03 -0.532 . . . . 25.0 110.469 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -76.54 173.98 13.6 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 117.694 -1.07 . . . . 25.0 111.403 175.361 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.145 0 N-CA-C 105.246 -3.142 . . . . 25.0 105.246 176.889 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 206' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 118.41 -0.805 . . . . 25.0 109.634 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 65.32 117.59 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.951 0 O-C-N 124.967 1.417 . . . . 25.0 114.226 -178.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -89.44 172.76 39.81 Favored Glycine 0 N--CA 1.451 -0.307 0 N-CA-C 110.88 -0.888 . . . . 25.0 110.88 176.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 68.7 p -80.42 -176.02 5.46 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.438 -0.949 . . . . 25.0 108.438 176.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -89.62 9.04 28.37 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 121.324 -0.86 . . . . 25.0 111.124 174.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -90.02 -154.62 29.97 Favored Glycine 0 CA--C 1.518 0.234 0 N-CA-C 109.122 -1.591 . . . . 25.0 109.122 173.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -94.83 125.03 39.21 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 107.773 -1.195 . . . . 25.0 107.773 176.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -130.88 155.16 47.22 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 121.142 0.496 . . . . 50.0 111.8 -175.006 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 84.0 t -124.86 115.3 43.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 106.142 -1.799 . . . . 25.0 106.142 173.052 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.8 mp -120.59 128.32 52.94 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.581 -0.896 . . . . 25.0 108.581 -179.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 37.8 mm -119.59 123.04 70.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 107.86 -1.163 . . . . 25.0 107.86 -178.204 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -83.38 154.47 31.47 Favored Glycine 0 N--CA 1.449 -0.482 0 CA-C-O 121.791 0.661 . . . . 25.0 113.537 -178.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 87.8 p -86.66 -178.72 6.44 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.083 -0.71 . . . . 25.0 109.083 177.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -76.4 -10.52 59.46 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 115.417 1.636 . . . . 25.0 115.417 -176.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.4 m -85.6 167.51 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 N-CA-C 108.779 -0.823 . . . . 25.0 108.779 176.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.97 136.42 24.1 Favored Glycine 0 CA--C 1.515 0.093 0 C-N-CA 120.461 -0.876 . . . . 25.0 111.574 179.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -142.94 163.42 32.84 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 117.405 0.603 . . . . 50.0 112.365 -174.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -118.33 118.27 31.34 Favored 'General case' 0 C--O 1.237 0.429 0 N-CA-C 105.642 -1.984 . . . . 25.0 105.642 171.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 54.7 mt -126.95 123.45 62.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 109.11 -0.7 . . . . 25.0 109.11 -174.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.3 p -116.59 140.88 48.89 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.835 -0.431 . . . . 25.0 109.835 179.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -95.75 -25.68 12.95 Favored Glycine 0 C--N 1.325 -0.077 0 C-N-CA 121.369 -0.443 . . . . 25.0 114.027 -178.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 73.06 -162.02 54.61 Favored Glycine 0 C--O 1.244 0.736 0 N-CA-C 111.395 -0.682 . . . . 25.0 111.395 -177.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.5 175.76 4.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 122.006 -0.703 . . . . 25.0 109.341 177.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.95 172.89 49.13 Favored Glycine 0 C--O 1.246 0.856 0 C-N-CA 121.274 -0.489 . . . . 25.0 113.3 179.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -86.72 112.19 21.42 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.879 -0.786 . . . . 25.0 108.879 -178.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -120.87 165.9 14.54 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 114.101 1.149 . . . . 50.0 114.101 -174.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -123.25 127.0 47.98 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 105.043 -2.206 . . . . 25.0 105.043 167.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -121.35 121.58 37.95 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 106.261 -1.755 . . . . 25.0 106.261 178.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -117.09 138.6 51.51 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 105.146 -2.168 . . . . 25.0 105.146 173.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -93.38 -28.34 11.72 Favored Glycine 0 C--N 1.319 -0.364 0 C-N-CA 121.289 -0.481 . . . . 25.0 112.564 -179.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 72.75 -163.37 54.84 Favored Glycine 0 C--O 1.245 0.814 0 N-CA-C 109.184 -1.566 . . . . 25.0 109.184 -174.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.1 175.82 7.12 Favored 'General case' 0 C--O 1.244 0.813 0 CA-C-N 118.002 0.901 . . . . 25.0 109.53 177.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.78 167.04 36.51 Favored Glycine 0 C--O 1.242 0.607 0 N-CA-C 110.165 -1.174 . . . . 25.0 110.165 -176.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -84.54 134.65 34.41 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 107.026 -1.472 . . . . 25.0 107.026 -179.222 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -136.7 152.98 50.98 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 114.214 1.19 . . . . 50.0 114.214 -171.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.9 mp -108.89 123.83 49.7 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 105.739 -1.949 . . . . 25.0 105.739 174.159 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.0 mp -124.31 107.27 10.98 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.064 0.459 . . . . 25.0 110.664 -177.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -99.84 104.81 16.5 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 108.656 -0.868 . . . . 25.0 108.656 -178.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -63.86 -41.84 98.64 Favored Glycine 0 C--O 1.247 0.938 0 C-N-CA 120.751 -0.738 . . . . 25.0 114.567 -174.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.49 175.94 44.09 Favored Glycine 0 C--O 1.238 0.358 0 N-CA-C 111.644 -0.582 . . . . 25.0 111.644 -178.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.29 154.99 7.34 Favored 'General case' 0 C--O 1.243 0.749 0 O-C-N 122.194 -0.592 . . . . 25.0 111.703 -179.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 87.39 168.57 44.82 Favored Glycine 0 C--O 1.24 0.512 0 N-CA-C 110.533 -1.027 . . . . 25.0 110.533 -176.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.2 ptp85 -82.92 145.18 29.55 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 107.301 -1.37 . . . . 25.0 107.301 179.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -140.7 169.26 17.98 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 120.579 0.228 . . . . 50.0 110.466 -174.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.6 120.69 28.71 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 104.874 -2.269 . . . . 25.0 104.874 177.376 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.6 mp -121.75 98.51 5.99 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.844 0.683 . . . . 25.0 112.844 -171.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -88.04 104.89 17.09 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 122.609 0.364 . . . . 25.0 110.692 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -72.13 -42.44 51.06 Favored Glycine 0 C--O 1.249 1.086 0 C-N-CA 119.817 -1.182 . . . . 25.0 113.265 -177.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.86 -163.01 53.88 Favored Glycine 0 C--O 1.241 0.556 0 N-CA-C 111.526 -0.63 . . . . 25.0 111.526 -178.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 86.5 mt -62.36 155.06 26.2 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-O 121.168 0.508 . . . . 25.0 111.299 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 90.37 168.09 42.31 Favored Glycine 0 C--O 1.246 0.878 0 CA-C-N 115.136 -0.938 . . . . 25.0 110.818 -178.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -84.77 128.03 34.41 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 106.322 -1.733 . . . . 25.0 106.322 177.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -122.84 147.65 46.31 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 109.389 -0.597 . . . . 50.0 109.389 -174.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.6 t -119.76 124.01 45.14 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 107.959 -1.126 . . . . 25.0 107.959 174.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -102.29 129.94 48.85 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 106.541 -1.652 . . . . 25.0 106.541 -177.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -124.66 145.22 49.77 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 116.674 2.101 . . . . 25.0 116.674 -168.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 43.1 p90 -81.52 160.2 23.97 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.052 -1.431 . . . . 25.0 108.29 169.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -125.81 -21.77 4.33 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 109.237 -0.653 . . . . 25.0 109.237 167.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.0 mp -135.97 172.06 13.56 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 107.264 -1.384 . . . . 25.0 107.264 179.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 41.6 ptt180 -78.21 -26.47 47.48 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 108.768 -0.827 . . . . 25.0 108.768 168.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -81.56 7.49 11.97 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 121.409 0.623 . . . . 25.0 111.085 178.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -66.07 -28.65 68.99 Favored 'General case' 0 C--O 1.242 0.695 0 CA-C-N 116.296 -0.411 . . . . 25.0 111.455 -179.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.401 ' HA ' ' HA ' ' A' ' 72' ' ' SER . 39.4 p -144.65 102.17 3.77 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 115.826 -0.624 . . . . 25.0 110.972 179.437 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 19.5 t60 -149.81 151.43 33.53 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.831 -0.803 . . . . 25.0 108.831 -177.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 31.9 mtm180 -132.82 147.67 52.31 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 119.286 0.948 . . . . 25.0 108.542 175.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.8 m -137.58 164.91 38.08 Favored Pre-proline 0 C--N 1.322 -0.598 0 N-CA-C 107.729 -1.212 . . . . 25.0 107.729 -174.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -69.14 -10.57 29.42 Favored 'Trans proline' 0 CA--C 1.536 0.602 0 C-N-CA 115.751 -2.366 . . . . 25.0 112.946 175.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.0 mp -78.45 -9.23 59.22 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 122.4 0.28 . . . . 25.0 110.955 175.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 137.69 173.66 13.03 Favored Glycine 0 N--CA 1.455 -0.087 0 N-CA-C 112.003 -0.439 . . . . 25.0 112.003 -179.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.4 t -83.62 143.98 29.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 122.19 -0.594 . . . . 25.0 109.684 178.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -134.73 23.52 3.64 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 105.07 -2.196 . . . . 25.0 105.07 174.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.401 ' HA ' ' HA ' ' A' ' 63' ' ' SER . 18.0 t -113.01 158.88 19.73 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-N 115.063 -0.971 . . . . 25.0 110.717 -175.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -86.23 155.25 20.78 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 114.867 -1.061 . . . . 50.0 112.418 -173.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 9.0 mp -117.16 121.91 42.6 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 104.28 -2.489 . . . . 25.0 104.28 173.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 31.5 mt -91.78 143.76 10.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 N-CA-C 102.777 -3.046 . . . . 25.0 102.777 176.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 60.0 mt -123.15 145.13 48.86 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 108.13 -1.063 . . . . 25.0 108.13 -173.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 53.07 44.99 29.66 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 122.129 0.966 . . . . 25.0 109.045 179.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -76.52 130.33 37.76 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.899 -1.046 . . . . 25.0 110.208 -177.191 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -102.47 94.05 4.62 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 115.72 -0.673 . . . . 25.0 109.594 177.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -69.67 4.79 1.95 Allowed 'Trans proline' 0 CA--C 1.537 0.653 0 N-CA-C 114.181 0.8 . . . . 25.0 114.181 176.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 20.2 t -95.08 -13.62 24.98 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 122.506 0.322 . . . . 25.0 110.711 174.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -141.03 -34.55 0.5 Allowed 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 115.929 1.826 . . . . 25.0 115.929 -173.114 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -84.97 156.76 21.03 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.589 0.589 . . . . 50.0 112.589 -169.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 39.5 tptt -123.56 149.73 44.9 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.23 0.612 . . . . 25.0 109.7 -176.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 25.8 mt -126.52 116.94 46.86 Favored 'Isoleucine or valine' 0 C--O 1.243 0.729 0 CA-C-O 121.042 0.449 . . . . 25.0 109.929 176.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -82.68 121.49 26.92 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 107.36 -1.348 . . . . 25.0 107.36 176.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 18.1 m -135.53 27.64 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 CA-C-O 121.865 0.841 . . . . 25.0 110.038 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.99 -25.61 67.73 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 114.855 1.428 . . . . 25.0 114.855 -174.323 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -75.36 -13.44 60.41 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 112.246 0.461 . . . . 25.0 112.246 177.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.7 mt -98.59 -36.6 9.84 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 106.924 -1.51 . . . . 25.0 106.924 -178.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 65.03 37.3 94.05 Favored Glycine 0 C--O 1.226 -0.346 0 N-CA-C 117.301 1.68 . . . . 25.0 117.301 168.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -57.62 129.87 43.83 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 117.827 0.813 . . . . 25.0 111.839 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 14.5 tt -92.28 -8.63 10.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.415 0.626 . . . . 25.0 111.081 -176.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -153.8 162.54 30.46 Favored Glycine 0 CA--C 1.509 -0.335 0 N-CA-C 111.251 -0.74 . . . . 25.0 111.251 178.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 75.3 mt -119.6 0.53 11.0 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 114.805 1.409 . . . . 25.0 114.805 -173.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -126.45 -29.74 0.89 Allowed Glycine 0 CA--C 1.523 0.59 0 N-CA-C 119.215 2.446 . . . . 25.0 119.215 -174.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -77.38 -26.41 51.85 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 118.872 1.336 . . . . 25.0 114.31 -171.294 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.427 ' HA3' ' HB2' ' A' ' 104' ' ' ALA . . . 76.09 16.3 80.79 Favored Glycine 0 C--O 1.225 -0.41 0 N-CA-C 118.645 2.218 . . . . 25.0 118.645 175.228 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -147.38 160.42 42.56 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 118.467 1.133 . . . . 25.0 109.225 178.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 51.01 50.98 18.01 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 114.028 1.122 . . . . 25.0 114.028 173.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 79.93 17.62 74.37 Favored Glycine 0 N--CA 1.453 -0.186 0 C-N-CA 120.422 -0.894 . . . . 25.0 113.92 177.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 54.5 p -121.14 143.69 48.97 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 106.882 -1.525 . . . . 25.0 106.882 175.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 89.8 mt -85.58 161.62 19.22 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.267 0.556 . . . . 25.0 112.353 -176.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.427 ' HB2' ' HA3' ' A' ' 98' ' ' GLY . . . -131.73 157.31 44.13 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 101.71 -3.441 . . . . 25.0 101.71 166.048 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 11.5 p -124.46 151.08 29.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.172 -0.677 . . . . 25.0 109.172 -176.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 64.9 p -146.72 162.7 37.97 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 106.734 -1.58 . . . . 25.0 106.734 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 88.8 mt -129.41 159.11 37.24 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.682 -0.488 . . . . 25.0 109.682 -178.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 27.2 t -77.75 160.5 28.37 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 105.286 -2.116 . . . . 25.0 105.286 169.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -71.47 13.61 0.23 Allowed 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 114.139 1.162 . . . . 25.0 114.139 -177.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 8.8 p30 -114.25 -9.43 12.84 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 107.798 -1.186 . . . . 25.0 107.798 178.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 72.0 5.06 60.87 Favored Glycine 0 CA--C 1.519 0.326 0 CA-C-N 116.11 -0.495 . . . . 25.0 112.468 -177.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 83.1 mt -97.27 -17.46 19.79 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-O 121.38 0.61 . . . . 25.0 112.476 -173.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 4.6 mtp180 -124.76 146.7 49.07 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.849 -0.797 . . . . 25.0 108.849 -175.372 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 28.1 m -135.28 138.14 43.2 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.711 -0.477 . . . . 25.0 109.711 -174.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -131.47 142.62 50.02 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.802 -0.814 . . . . 25.0 108.802 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.9 mp -127.24 146.55 50.38 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.604 -0.517 . . . . 25.0 109.604 -175.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 19.8 tttp -140.94 129.12 22.17 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 112.233 0.457 . . . . 25.0 112.233 -177.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 32.7 t -93.99 -14.49 25.85 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-O 121.565 0.697 . . . . 25.0 111.991 177.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 70.03 -55.77 0.59 Allowed 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 125.53 1.532 . . . . 25.0 114.864 178.49 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 48.78 41.54 18.33 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-O 123.569 1.652 . . . . 25.0 114.031 171.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -70.4 -1.81 11.81 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 113.25 -1.796 . . . . 25.0 113.27 -178.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -66.95 -32.74 74.18 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-N 111.821 -2.445 . . . . 25.0 108.952 177.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -132.07 87.04 2.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.255 -0.884 . . . . 25.0 110.558 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 57.63 15.79 3.06 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 115.23 1.567 . . . . 25.0 115.23 175.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 67.58 34.0 82.73 Favored Glycine 0 C--O 1.233 0.068 0 C-N-CA 120.28 -0.962 . . . . 25.0 112.248 -179.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 89.5 mmt-85 -82.63 75.99 9.51 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.0 -0.741 . . . . 25.0 109.0 179.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 14.8 m -69.46 120.32 15.07 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 114.618 1.34 . . . . 25.0 114.618 -175.083 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -76.28 129.46 36.69 Favored 'General case' 0 C--O 1.242 0.696 0 N-CA-C 104.474 -2.417 . . . . 25.0 104.474 166.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -144.09 150.58 38.37 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 107.409 -1.33 . . . . 25.0 107.409 -175.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.9 mp -135.39 162.43 32.64 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 109.594 -0.521 . . . . 25.0 109.594 -177.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -138.2 144.62 40.76 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 121.119 0.485 . . . . 25.0 111.731 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 65.5 mt -130.74 133.21 45.83 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.529 -1.285 . . . . 25.0 107.529 176.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -120.99 143.53 48.98 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 106.682 -1.599 . . . . 25.0 106.682 173.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 73.47 29.28 64.12 Favored Glycine 0 C--O 1.225 -0.464 0 N-CA-C 109.995 -1.242 . . . . 25.0 109.995 -178.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -79.03 124.74 28.56 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.55 -0.537 . . . . 25.0 109.55 -178.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 77.7 m80 -76.15 84.42 2.99 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.326 0.584 . . . . 25.0 110.241 177.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -60.87 -27.46 68.14 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.116 -0.698 . . . . 25.0 109.116 175.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -60.81 -27.47 68.06 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 115.739 -0.664 . . . . 25.0 111.38 176.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 76.5 p -125.35 34.45 4.94 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 111.598 0.222 . . . . 25.0 111.598 178.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.0 pp -62.48 150.03 41.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.645 0.736 . . . . 25.0 112.844 -175.256 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 29.3 t -155.5 147.14 23.06 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.396 -1.335 . . . . 25.0 107.396 175.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -99.34 -7.96 25.54 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.241 0.543 . . . . 25.0 110.722 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -74.18 -6.35 74.27 Favored Glycine 0 N--CA 1.46 0.26 0 C-N-CA 121.182 -0.533 . . . . 25.0 113.171 -178.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -76.46 -13.74 60.09 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.55 0.69 . . . . 25.0 111.881 -179.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 62.9 mt -80.97 144.28 10.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 N-CA-C 104.695 -2.335 . . . . 25.0 104.695 179.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 6.0 p -51.16 -27.3 5.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 N-CA-C 115.311 1.597 . . . . 25.0 115.311 -173.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -71.27 -25.08 62.3 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 113.21 0.818 . . . . 25.0 113.21 -178.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . 53.35 -154.06 0.24 Allowed 'General case' 0 CA--C 1.539 0.538 0 O-C-N 123.542 0.526 . . . . 25.0 110.999 -178.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . 60.76 1.62 0.45 Allowed 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 116.346 1.98 . . . . 25.0 116.346 176.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -77.15 86.83 3.61 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.086 0.469 . . . . 25.0 111.312 -179.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 11.5 t -69.43 146.68 96.57 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 115.756 -0.657 . . . . 25.0 109.25 177.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -72.43 164.53 35.33 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 116.535 -1.843 . . . . 25.0 111.112 174.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.244 0 N-CA-C 105.546 -3.022 . . . . 25.0 105.546 179.408 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 206' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 118.534 -0.746 . . . . 25.0 109.548 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 66.56 159.62 0.13 Allowed 'General case' 0 N--CA 1.477 0.895 0 O-C-N 124.902 1.376 . . . . 25.0 110.929 -175.442 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -97.62 -166.14 32.06 Favored Glycine 0 C--O 1.227 -0.287 0 CA-C-O 121.749 0.638 . . . . 25.0 114.276 -175.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.433 HG23 ' H ' ' A' ' 6' ' ' GLY . 6.8 t -125.01 -173.91 2.92 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 104.889 -2.263 . . . . 25.0 104.889 176.461 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -84.85 4.07 34.95 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 120.895 -1.128 . . . . 25.0 113.367 -176.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.433 ' H ' HG23 ' A' ' 4' ' ' THR . . . -85.24 -169.97 46.6 Favored Glycine 0 C--N 1.321 -0.284 0 N-CA-C 109.138 -1.585 . . . . 25.0 109.138 171.128 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 64.0 m-20 -86.42 130.42 34.51 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 118.69 1.245 . . . . 25.0 108.078 177.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -127.53 156.45 42.19 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 112.838 0.681 . . . . 50.0 112.838 -175.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 97.7 t -124.82 116.72 48.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 104.214 -2.513 . . . . 25.0 104.214 168.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 45.9 mt -122.13 134.9 54.74 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.673 -0.862 . . . . 25.0 108.673 -173.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 73.9 mt -130.74 124.96 57.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 107.611 -1.255 . . . . 25.0 107.611 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -85.75 157.03 30.75 Favored Glycine 0 N--CA 1.45 -0.433 0 CA-C-O 121.599 0.555 . . . . 25.0 113.395 -178.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 89.0 p -83.85 -178.87 7.13 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 123.391 0.677 . . . . 25.0 109.79 177.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -73.26 -14.79 61.39 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 115.367 1.618 . . . . 25.0 115.367 -176.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.0 m -84.31 168.03 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 109.182 -0.673 . . . . 25.0 109.182 178.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.49 137.49 26.12 Favored Glycine 0 N--CA 1.453 -0.203 0 N-CA-C 110.813 -0.915 . . . . 25.0 110.813 177.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -143.35 167.24 22.63 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.059 0.457 . . . . 50.0 111.11 -174.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.0 tm0? -121.73 126.17 48.29 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 103.302 -2.851 . . . . 25.0 103.302 170.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 61.7 mt -128.63 121.31 54.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 108.223 -1.029 . . . . 25.0 108.223 -175.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 94.2 p -110.63 138.58 46.83 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.701 -0.852 . . . . 25.0 108.701 177.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -91.03 -25.68 23.85 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.867 -0.682 . . . . 25.0 111.849 178.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 71.65 -159.48 53.82 Favored Glycine 0 C--O 1.247 0.914 0 N-CA-C 110.768 -0.933 . . . . 25.0 110.768 -176.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.5 -179.87 3.71 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.731 -0.84 . . . . 25.0 108.731 176.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.2 169.03 41.2 Favored Glycine 0 C--O 1.242 0.634 0 C-N-CA 121.051 -0.595 . . . . 25.0 111.908 -178.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -92.88 112.94 25.08 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.129 -1.063 . . . . 25.0 108.129 -178.149 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -122.69 167.93 12.84 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 114.485 1.291 . . . . 50.0 114.485 -170.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 66.0 ttt180 -125.67 129.5 49.7 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 105.695 -1.965 . . . . 25.0 105.695 166.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.5 mp -122.08 126.16 47.8 Favored 'General case' 0 C--N 1.319 -0.717 0 N-CA-C 105.881 -1.896 . . . . 25.0 105.881 178.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -119.38 135.64 54.64 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 104.439 -2.43 . . . . 25.0 104.439 173.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -93.34 -25.21 19.6 Favored Glycine 0 C--N 1.32 -0.351 0 C-N-CA 121.466 -0.397 . . . . 25.0 113.386 -176.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 71.23 -160.04 53.98 Favored Glycine 0 C--O 1.246 0.896 0 N-CA-C 110.499 -1.041 . . . . 25.0 110.499 -176.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.21 172.81 10.43 Favored 'General case' 0 C--O 1.243 0.762 0 N-CA-C 109.567 -0.531 . . . . 25.0 109.567 178.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 83.09 165.42 37.7 Favored Glycine 0 C--O 1.241 0.542 0 N-CA-C 110.716 -0.954 . . . . 25.0 110.716 -177.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -84.84 126.62 33.61 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 106.851 -1.537 . . . . 25.0 106.851 -179.224 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -130.94 152.65 50.03 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 113.587 0.958 . . . . 50.0 113.587 -170.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.1 mp -108.25 130.78 55.15 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 106.367 -1.716 . . . . 25.0 106.367 172.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.5 mp -127.44 113.4 16.14 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.203 -0.295 . . . . 25.0 110.203 -176.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -106.45 108.7 20.34 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 122.701 0.4 . . . . 25.0 109.938 -178.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -67.91 -44.8 77.58 Favored Glycine 0 C--O 1.249 1.05 0 C-N-CA 120.684 -0.769 . . . . 25.0 114.827 -174.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.49 -173.51 54.97 Favored Glycine 0 C--O 1.245 0.79 0 O-C-N 122.395 -0.473 . . . . 25.0 112.154 -178.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.05 161.6 12.94 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 122.452 -0.44 . . . . 25.0 109.972 177.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 86.84 174.97 49.32 Favored Glycine 0 N--CA 1.461 0.309 0 N-CA-C 109.523 -1.431 . . . . 25.0 109.523 -176.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.3 ptp180 -100.01 132.37 45.4 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 107.9 -1.148 . . . . 25.0 107.9 179.033 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -132.64 165.98 23.19 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 116.061 -0.518 . . . . 50.0 111.686 -168.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.09 123.97 39.53 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 105.268 -2.123 . . . . 25.0 105.268 177.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.1 mp -119.95 94.59 4.44 Favored 'General case' 0 C--N 1.322 -0.595 0 O-C-N 123.271 0.357 . . . . 25.0 110.249 -173.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.4 m -88.11 110.65 20.82 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.388 -0.597 . . . . 25.0 109.388 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -77.5 -41.28 20.83 Favored Glycine 0 C--O 1.248 1.018 0 C-N-CA 119.578 -1.296 . . . . 25.0 113.313 -176.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.91 -161.39 54.03 Favored Glycine 0 C--O 1.24 0.518 0 N-CA-C 111.342 -0.703 . . . . 25.0 111.342 -177.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.5 mt -62.96 155.08 28.44 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 121.105 0.478 . . . . 25.0 111.256 179.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 92.18 167.96 40.14 Favored Glycine 0 C--O 1.246 0.851 0 CA-C-N 115.195 -0.911 . . . . 25.0 111.034 -178.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -84.57 123.55 30.43 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 106.455 -1.683 . . . . 25.0 106.455 178.137 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -118.77 139.26 51.87 Favored 'General case' 0 C--N 1.319 -0.752 0 O-C-N 122.096 -0.377 . . . . 50.0 110.932 -174.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 29.3 m -108.27 103.93 13.21 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.857 -0.794 . . . . 25.0 108.857 178.183 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -86.81 124.25 32.84 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 104.833 -2.284 . . . . 25.0 104.833 178.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 52.3 ttt-85 -132.12 150.89 52.04 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.685 0.755 . . . . 25.0 112.809 -168.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 53.6 p90 -77.01 158.91 30.3 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.858 -1.064 . . . . 25.0 108.897 172.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -124.04 -41.54 2.21 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 107.505 -1.294 . . . . 25.0 107.505 169.084 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -126.21 170.42 11.86 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 106.702 -1.592 . . . . 25.0 106.702 176.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 39.3 ptt180 -69.87 -14.84 62.93 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-O 122.023 0.916 . . . . 25.0 109.776 171.401 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -81.3 3.07 25.39 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.419 -0.81 . . . . 25.0 111.214 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.81 -33.04 74.79 Favored 'General case' 0 CA--C 1.514 -0.423 0 C-N-CA 120.56 -0.456 . . . . 25.0 111.368 -179.043 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.434 ' HA ' ' HA ' ' A' ' 72' ' ' SER . 18.5 m -151.0 93.08 1.89 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.412 0.625 . . . . 25.0 111.615 175.378 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -143.94 151.75 40.18 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 107.759 -1.2 . . . . 25.0 107.759 -176.003 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 76.1 mtt180 -126.82 147.2 50.04 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 118.706 0.684 . . . . 25.0 111.443 179.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 27.2 t -151.82 154.66 33.19 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 106.394 -1.706 . . . . 25.0 106.394 -175.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_endo -68.8 -14.62 39.39 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 116.201 -2.066 . . . . 25.0 112.561 175.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 81.2 mt -79.07 -7.3 58.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.041 0.448 . . . . 25.0 110.805 177.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 147.0 152.64 5.69 Favored Glycine 0 N--CA 1.449 -0.472 0 N-CA-C 111.353 -0.699 . . . . 25.0 111.353 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.4 t -100.38 143.22 30.83 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.657 -0.868 . . . . 25.0 108.657 179.112 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -124.27 10.4 8.66 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.659 -0.867 . . . . 25.0 108.659 179.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.434 ' HA ' ' HA ' ' A' ' 63' ' ' SER . 83.1 p -67.25 137.22 55.98 Favored 'General case' 0 CA--C 1.508 -0.653 0 N-CA-C 108.894 -0.78 . . . . 25.0 108.894 179.637 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -96.4 157.32 15.95 Favored 'General case' 0 C--N 1.318 -0.772 0 O-C-N 123.487 0.492 . . . . 50.0 110.715 -177.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.3 mp -115.09 124.9 52.75 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 105.427 -2.064 . . . . 25.0 105.427 174.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 67.0 mt -92.28 144.69 8.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 N-CA-C 102.479 -3.156 . . . . 25.0 102.479 173.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -123.52 141.21 52.23 Favored 'General case' 0 C--N 1.314 -0.963 0 O-C-N 124.023 0.827 . . . . 25.0 109.005 -173.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 54.92 50.36 15.74 Favored 'General case' 0 C--O 1.241 0.608 0 O-C-N 124.453 1.096 . . . . 25.0 109.323 177.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -77.89 129.42 35.35 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.473 -1.239 . . . . 25.0 111.553 -176.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -103.48 94.19 5.7 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.747 -0.661 . . . . 25.0 109.414 177.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -64.21 -15.69 50.85 Favored 'Trans proline' 0 CA--C 1.532 0.376 0 N-CA-C 114.518 0.93 . . . . 25.0 114.518 -179.381 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.6 t -81.07 -11.11 59.58 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 112.926 0.713 . . . . 25.0 112.926 177.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 -137.44 -37.55 0.62 Allowed 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 114.247 1.203 . . . . 25.0 114.247 -172.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -84.65 162.42 19.73 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.13 0.49 . . . . 50.0 112.278 -171.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 48.1 tptt -129.92 144.02 51.1 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 123.11 0.564 . . . . 25.0 109.818 -178.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 43.7 mt -123.57 112.97 35.38 Favored 'Isoleucine or valine' 0 C--O 1.242 0.666 0 N-CA-C 109.74 -0.467 . . . . 25.0 109.74 177.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -94.1 123.9 37.77 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 110.019 -0.363 . . . . 25.0 110.019 177.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 28.5 m -127.23 22.08 2.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 CA-C-O 121.331 0.586 . . . . 25.0 112.303 -177.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.7 t -59.49 -28.39 66.98 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 115.151 1.537 . . . . 25.0 115.151 -174.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -76.61 -13.59 60.05 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 112.678 0.621 . . . . 25.0 112.678 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 23.4 mt -87.67 -51.45 5.87 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 105.206 -2.146 . . . . 25.0 105.206 178.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 80.1 111.54 0.27 Allowed Glycine 0 C--O 1.218 -0.86 0 CA-C-N 114.252 -1.34 . . . . 25.0 114.056 174.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -125.95 133.71 51.75 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 105.027 -2.212 . . . . 25.0 105.027 176.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 10.1 tp -114.78 -18.95 7.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 113.003 0.742 . . . . 25.0 113.003 -170.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.608 ' HA3' HG22 ' A' ' 102' ' ' THR . . . -111.88 157.89 14.67 Favored Glycine 0 C--O 1.226 -0.361 0 C-N-CA 120.65 -0.786 . . . . 25.0 113.574 -178.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 77.6 mt -60.47 -32.26 71.24 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 115.299 1.592 . . . . 25.0 115.299 -174.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 143.77 85.97 0.08 OUTLIER Glycine 0 C--O 1.221 -0.715 0 N-CA-C 118.991 2.357 . . . . 25.0 118.991 178.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -118.94 -2.31 10.85 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 110.062 -0.347 . . . . 25.0 110.062 174.033 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 81.81 -1.62 85.76 Favored Glycine 0 N--CA 1.461 0.306 0 N-CA-C 116.688 1.435 . . . . 25.0 116.688 179.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -140.37 154.87 46.88 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.955 0.378 . . . . 25.0 110.242 -178.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 56.23 50.34 13.61 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 114.203 1.186 . . . . 25.0 114.203 174.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 81.6 21.82 61.22 Favored Glycine 0 CA--C 1.508 -0.385 0 C-N-CA 120.709 -0.757 . . . . 25.0 112.425 173.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.608 HG22 ' HA3' ' A' ' 94' ' ' GLY . 14.6 p -130.96 140.1 50.12 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 105.899 -1.889 . . . . 25.0 105.899 179.545 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 49.8 mt -89.12 157.59 18.25 Favored 'General case' 0 C--O 1.216 -0.677 0 N-CA-C 115.968 1.84 . . . . 25.0 115.968 -170.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -136.74 154.99 50.43 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 104.641 -2.355 . . . . 25.0 104.641 168.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 9.2 p -128.56 153.21 37.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 108.595 -0.891 . . . . 25.0 108.595 -177.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 40.7 p -148.71 161.91 40.8 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 106.098 -1.816 . . . . 25.0 106.098 177.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 84.2 mt -130.21 163.52 26.53 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.703 -0.481 . . . . 25.0 109.703 -176.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 18.0 p -77.57 169.55 18.11 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.045 -1.094 . . . . 25.0 108.045 170.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.92 -10.51 39.41 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 114.492 1.293 . . . . 25.0 114.492 -177.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 25.7 p30 -114.62 2.02 14.4 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.108 -0.701 . . . . 25.0 109.108 -178.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 68.43 4.74 39.56 Favored Glycine 0 CA--C 1.519 0.31 0 CA-C-N 115.966 -0.561 . . . . 25.0 114.043 -179.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 98.9 mt -84.67 -12.38 54.0 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 117.547 0.673 . . . . 25.0 112.353 -174.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 87.9 mtt180 -129.36 148.98 51.34 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.417 -0.957 . . . . 25.0 108.417 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 28.0 m -134.18 141.84 47.21 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 108.423 -0.954 . . . . 25.0 108.423 -175.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -130.55 142.89 50.47 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.709 -0.849 . . . . 25.0 108.709 178.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 37.0 mt -126.57 142.45 51.53 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 109.868 -0.419 . . . . 25.0 109.868 -177.293 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 39.1 tttt -142.65 136.17 28.82 Favored 'General case' 0 C--O 1.218 -0.592 0 O-C-N 123.216 0.322 . . . . 25.0 111.119 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 30.5 t -115.11 -27.99 7.12 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 113.81 1.041 . . . . 25.0 113.81 179.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.408 ' HA ' ' HB3' ' A' ' 127' ' ' SER . 6.4 t80 47.59 55.19 8.7 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-O 122.792 1.282 . . . . 25.0 111.777 -179.198 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -63.23 146.24 53.83 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 113.206 -1.816 . . . . 25.0 114.835 -172.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -139.09 14.43 2.63 Favored 'General case' 0 C--O 1.221 -0.43 0 CA-C-O 122.289 1.043 . . . . 25.0 109.245 178.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -68.64 -30.58 69.31 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 113.61 -1.632 . . . . 25.0 112.514 -171.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -151.75 -30.8 0.16 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 114.414 1.264 . . . . 25.0 114.414 -178.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -124.8 -13.39 6.94 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 115.119 1.526 . . . . 25.0 115.119 -172.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 66.63 28.22 73.64 Favored Glycine 0 CA--C 1.519 0.332 0 C-N-CA 120.784 -0.722 . . . . 25.0 114.319 178.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 25.6 mmt180 -137.06 151.61 49.11 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 105.606 -1.998 . . . . 25.0 105.606 -179.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.408 ' HB3' ' HA ' ' A' ' 119' ' ' TYR . 53.0 p -92.94 132.41 37.08 Favored 'General case' 0 C--O 1.241 0.655 0 N-CA-C 116.813 2.153 . . . . 25.0 116.813 -167.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -88.72 129.58 35.51 Favored 'General case' 0 C--O 1.241 0.63 0 N-CA-C 104.472 -2.418 . . . . 25.0 104.472 164.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -144.82 145.23 31.54 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 106.179 -1.786 . . . . 25.0 106.179 -176.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.5 mp -131.02 169.76 15.41 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 122.528 0.331 . . . . 25.0 110.459 -174.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -147.03 154.09 40.79 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.841 -0.429 . . . . 25.0 109.841 175.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 56.2 mt -136.61 137.53 40.22 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 106.116 -1.809 . . . . 25.0 106.116 177.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -126.19 148.11 49.51 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 106.736 -1.579 . . . . 25.0 106.736 175.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 75.86 48.55 9.92 Favored Glycine 0 C--O 1.228 -0.249 0 N-CA-C 110.421 -1.071 . . . . 25.0 110.421 -178.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -87.08 126.98 35.11 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.944 0.72 . . . . 25.0 112.944 -175.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 75.2 m80 -82.29 69.63 9.07 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 107.37 -1.344 . . . . 25.0 107.37 167.056 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -61.6 -27.76 68.87 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.567 -0.742 . . . . 25.0 109.935 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.15 -25.62 67.13 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.93 -0.577 . . . . 25.0 111.388 176.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 82.7 p -123.44 29.84 6.49 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 111.814 0.302 . . . . 25.0 111.814 179.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.8 pp -61.17 156.6 17.95 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.383 0.611 . . . . 25.0 112.138 -176.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 44.8 t -149.34 155.09 39.95 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.858 -0.61 . . . . 25.0 109.472 -178.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -95.85 -10.76 28.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.565 0.697 . . . . 25.0 109.426 175.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -76.94 -17.26 80.01 Favored Glycine 0 CA--C 1.516 0.107 0 CA-C-N 115.948 -0.569 . . . . 25.0 114.289 -175.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -79.13 -2.31 40.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 122.327 -0.514 . . . . 25.0 112.113 -178.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 16.1 mt -89.38 152.43 3.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 106.511 -1.663 . . . . 25.0 106.511 178.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 7.4 p -50.12 -29.0 5.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 N-CA-C 115.025 1.491 . . . . 25.0 115.025 -177.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -66.94 -30.71 70.92 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.076 0.769 . . . . 25.0 113.076 -176.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . 52.51 -153.81 0.22 Allowed 'General case' 0 CA--C 1.538 0.497 0 O-C-N 123.583 0.552 . . . . 25.0 110.514 -178.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . 51.35 33.16 9.45 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 114.226 1.195 . . . . 25.0 114.226 175.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -76.83 72.61 3.44 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 120.988 0.423 . . . . 25.0 111.587 -179.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 12.0 t -69.66 144.73 94.21 Favored Pre-proline 0 C--N 1.322 -0.598 0 N-CA-C 109.16 -0.681 . . . . 25.0 109.16 178.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -74.17 167.9 26.08 Favored 'Trans proline' 0 C--O 1.237 0.468 0 C-N-CA 116.966 -1.556 . . . . 25.0 111.299 175.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.32 0 N-CA-C 105.405 -3.078 . . . . 25.0 105.405 178.698 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 206' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.506 0 CA-C-O 118.138 -0.934 . . . . 25.0 109.564 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 49.95 -174.04 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.008 0 O-C-N 124.885 1.366 . . . . 25.0 113.343 -173.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -111.83 -175.62 19.94 Favored Glycine 0 N--CA 1.453 -0.229 0 N-CA-C 111.765 -0.534 . . . . 25.0 111.765 -179.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 13.7 t -133.32 -179.58 5.6 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 106.608 -1.627 . . . . 25.0 106.608 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -77.65 128.24 33.77 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 107.653 -1.24 . . . . 25.0 107.653 177.032 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 128.88 -178.28 17.35 Favored Glycine 0 C--O 1.229 -0.172 0 N-CA-C 105.995 -2.842 . . . . 25.0 105.995 -169.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 27.8 m-20 -88.13 127.44 35.42 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 119.106 1.453 . . . . 25.0 110.246 -177.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -122.67 153.39 39.44 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 121.057 0.456 . . . . 50.0 111.572 -179.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 74.5 t -124.09 112.17 31.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 104.287 -2.486 . . . . 25.0 104.287 169.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.4 mt -121.69 135.41 54.96 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.236 -0.654 . . . . 25.0 109.236 -173.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 68.2 mt -130.69 123.54 54.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 108.022 -1.103 . . . . 25.0 108.022 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -88.26 160.78 30.95 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-O 121.652 0.584 . . . . 25.0 113.696 -178.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 18.6 t -87.28 -179.63 6.45 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 123.297 0.639 . . . . 25.0 110.03 178.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -77.5 -10.98 59.79 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 113.406 0.891 . . . . 25.0 113.406 -178.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 26.8 m -81.87 165.84 2.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 108.811 -0.811 . . . . 25.0 108.811 176.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.53 138.5 26.25 Favored Glycine 0 CA--C 1.518 0.272 0 N-CA-C 110.722 -0.951 . . . . 25.0 110.722 177.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -143.7 167.45 22.24 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.518 0.675 . . . . 50.0 112.308 -173.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -127.11 115.61 19.42 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 105.377 -2.082 . . . . 25.0 105.377 173.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 40.2 mt -129.17 116.77 41.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.372 0.605 . . . . 25.0 110.201 -173.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.6 p -104.83 137.3 42.83 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.138 -0.483 . . . . 25.0 110.001 178.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -91.02 -28.8 14.16 Favored Glycine 0 CA--C 1.519 0.294 0 N-CA-C 114.691 0.636 . . . . 25.0 114.691 -177.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.18 -164.4 54.42 Favored Glycine 0 C--O 1.243 0.7 0 C-N-CA 120.894 -0.67 . . . . 25.0 112.755 -178.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.35 169.1 17.0 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 121.994 -0.709 . . . . 25.0 109.349 177.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.66 166.68 41.15 Favored Glycine 0 C--O 1.24 0.502 0 CA-C-N 116.035 -0.529 . . . . 25.0 112.091 -179.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -83.58 113.08 20.58 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 107.829 -1.175 . . . . 25.0 107.829 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -119.31 163.38 17.24 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.649 0.611 . . . . 50.0 112.649 -173.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.6 ttt85 -130.05 124.37 32.69 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 105.169 -2.16 . . . . 25.0 105.169 169.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.5 mp -123.9 130.41 52.55 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 107.652 -1.24 . . . . 25.0 107.652 -177.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -116.49 137.24 52.33 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 104.751 -2.314 . . . . 25.0 104.751 170.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -96.02 -27.16 10.47 Favored Glycine 0 C--O 1.228 -0.261 0 C-N-CA 121.42 -0.419 . . . . 25.0 112.301 -178.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 73.86 -166.46 54.69 Favored Glycine 0 C--O 1.244 0.737 0 N-CA-C 110.935 -0.866 . . . . 25.0 110.935 -177.042 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.4 176.31 5.44 Favored 'General case' 0 C--O 1.246 0.918 0 O-C-N 122.114 -0.639 . . . . 25.0 109.727 177.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 81.81 164.45 33.61 Favored Glycine 0 C--O 1.239 0.439 0 N-CA-C 110.078 -1.209 . . . . 25.0 110.078 -177.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -81.48 131.72 35.29 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 107.098 -1.445 . . . . 25.0 107.098 -179.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -133.07 150.21 52.11 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 113.908 1.077 . . . . 50.0 113.908 -172.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.6 mp -111.07 126.43 54.81 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 106.724 -1.584 . . . . 25.0 106.724 176.207 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.7 mp -130.22 130.48 44.69 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.144 0.424 . . . . 25.0 112.144 -176.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -112.01 126.36 55.07 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 109.61 -0.515 . . . . 25.0 109.61 177.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -78.89 -52.85 4.78 Favored Glycine 0 C--O 1.249 1.038 0 C-N-CA 120.36 -0.924 . . . . 25.0 114.519 -177.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.92 -178.57 53.73 Favored Glycine 0 C--O 1.247 0.941 0 O-C-N 122.155 -0.615 . . . . 25.0 112.571 -178.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.56 160.73 16.01 Favored 'General case' 0 C--O 1.241 0.613 0 N-CA-C 109.447 -0.575 . . . . 25.0 109.447 177.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 87.21 168.77 45.11 Favored Glycine 0 N--CA 1.462 0.368 0 N-CA-C 109.38 -1.488 . . . . 25.0 109.38 -175.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.2 ptp85 -92.04 133.13 36.01 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 107.474 -1.306 . . . . 25.0 107.474 179.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -129.23 161.94 29.02 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.16 0.505 . . . . 50.0 111.533 -170.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -128.03 121.89 30.87 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 104.174 -2.528 . . . . 25.0 104.174 178.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.4 mp -124.82 99.78 6.31 Favored 'General case' 0 C--N 1.321 -0.631 0 O-C-N 123.366 0.416 . . . . 25.0 111.286 -173.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 16.7 m -87.97 112.56 22.72 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.706 -0.479 . . . . 25.0 109.706 -179.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -77.92 -43.37 14.33 Favored Glycine 0 C--O 1.24 0.521 0 C-N-CA 119.843 -1.17 . . . . 25.0 111.61 -178.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.38 -160.94 53.55 Favored Glycine 0 C--O 1.238 0.378 0 N-CA-C 111.077 -0.809 . . . . 25.0 111.077 -179.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 76.8 mt -62.05 153.84 28.57 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.123 0.487 . . . . 25.0 111.134 178.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 92.4 167.22 39.54 Favored Glycine 0 C--O 1.241 0.569 0 CA-C-N 115.209 -0.905 . . . . 25.0 111.046 -178.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -82.92 128.69 34.68 Favored 'General case' 0 C--O 1.218 -0.564 0 N-CA-C 106.29 -1.745 . . . . 25.0 106.29 177.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -126.14 145.34 50.4 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.874 -0.417 . . . . 50.0 109.874 -175.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.7 t -117.61 129.78 55.97 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 108.708 -0.849 . . . . 25.0 108.708 176.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -111.93 109.64 19.54 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 105.982 -1.859 . . . . 25.0 105.982 -178.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 59.9 ttt180 -112.79 145.82 39.91 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.81 -0.632 . . . . 25.0 111.987 -170.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 26.2 p90 -74.03 144.51 45.06 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 107.736 -1.209 . . . . 25.0 107.736 174.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -103.61 -39.97 6.5 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 106.494 -1.669 . . . . 25.0 106.494 170.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -128.34 161.11 30.2 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 106.698 -1.593 . . . . 25.0 106.698 175.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 7.6 ptt85 -64.45 -22.34 66.93 Favored 'General case' 0 C--O 1.215 -0.727 0 CA-C-O 121.463 0.649 . . . . 25.0 110.364 175.002 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -81.89 1.04 36.96 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.978 -0.556 . . . . 25.0 112.395 -175.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -61.21 -30.92 70.72 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.804 0.668 . . . . 25.0 112.804 -176.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 40.5 p -118.55 22.88 11.83 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 122.257 1.027 . . . . 25.0 112.325 -176.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 46.9 t-80 -89.67 145.64 25.08 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 115.356 -0.838 . . . . 25.0 112.853 -172.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -128.38 157.31 41.38 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 109.295 -0.632 . . . . 25.0 109.295 176.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 75.4 p -149.3 165.69 17.06 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 107.383 -1.34 . . . . 25.0 107.383 -178.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -70.27 -13.74 33.71 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 116.201 -2.066 . . . . 25.0 112.604 175.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 80.1 mt -83.16 -1.79 53.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.152 0.501 . . . . 25.0 110.3 177.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 143.27 151.82 5.55 Favored Glycine 0 N--CA 1.449 -0.49 0 CA-C-O 121.881 0.711 . . . . 25.0 112.959 178.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.94 130.95 34.78 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 107.994 -1.113 . . . . 25.0 107.994 176.386 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -120.66 14.12 11.73 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.887 -0.783 . . . . 25.0 108.887 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 89.7 p -73.63 169.17 17.83 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.079 -0.964 . . . . 25.0 109.069 179.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -111.96 158.3 19.67 Favored 'General case' 0 CA--C 1.51 -0.576 0 N-CA-C 113.032 0.753 . . . . 50.0 113.032 -175.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 9.6 mp -115.01 131.7 56.84 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 105.803 -1.925 . . . . 25.0 105.803 174.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 55.8 mt -104.43 144.32 14.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 N-CA-C 104.216 -2.512 . . . . 25.0 104.216 176.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -124.45 150.39 45.73 Favored 'General case' 0 C--N 1.316 -0.874 0 C-N-CA 123.421 0.688 . . . . 25.0 109.544 -174.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 53.49 50.36 17.52 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-O 122.12 0.962 . . . . 25.0 109.818 178.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -83.98 129.63 34.91 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.671 -1.15 . . . . 25.0 112.131 -175.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -102.33 101.09 17.67 Favored Pre-proline 0 C--N 1.324 -0.502 0 N-CA-C 108.997 -0.742 . . . . 25.0 108.997 177.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -68.22 -7.56 20.36 Favored 'Trans proline' 0 N--CA 1.474 0.336 0 N-CA-C 115.265 1.217 . . . . 25.0 115.265 -177.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 42.1 t -94.43 -9.93 34.05 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 111.965 0.357 . . . . 25.0 111.965 177.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -136.22 -34.56 0.79 Allowed 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 114.795 1.406 . . . . 25.0 114.795 -171.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -83.22 156.96 22.89 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.373 0.606 . . . . 50.0 111.791 -171.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 33.6 tptt -127.76 144.01 51.11 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.98 -0.555 . . . . 25.0 111.423 -175.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 73.4 mt -123.11 113.05 36.23 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 N-CA-C 109.026 -0.731 . . . . 25.0 109.026 178.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -97.66 108.67 21.43 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.622 -0.717 . . . . 25.0 109.716 -179.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.6 m -133.0 32.07 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 CA-C-O 122.178 0.99 . . . . 25.0 110.105 -177.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.23 -21.41 59.51 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 114.874 1.435 . . . . 25.0 114.874 -176.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.67 -20.56 64.45 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 113.515 0.931 . . . . 25.0 113.515 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 11.0 mt -88.96 -41.4 12.41 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.786 0.803 . . . . 25.0 109.067 -176.028 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 91.47 125.59 3.41 Favored Glycine 0 C--O 1.223 -0.534 0 CA-C-N 113.854 -1.521 . . . . 25.0 112.347 178.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -136.33 145.24 45.22 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 106.525 -1.657 . . . . 25.0 106.525 -179.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 7.6 tp -152.0 -18.77 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.776 0 N-CA-C 114.581 1.326 . . . . 25.0 114.581 178.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.562 ' HA3' HG22 ' A' ' 102' ' ' THR . . . -108.5 165.12 12.65 Favored Glycine 0 C--O 1.223 -0.535 0 N-CA-C 116.314 1.286 . . . . 25.0 116.314 -175.099 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 85.8 mt -62.9 -34.88 78.35 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 116.68 2.104 . . . . 25.0 116.68 -172.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 145.21 78.51 0.03 OUTLIER Glycine 0 C--O 1.222 -0.62 0 N-CA-C 118.555 2.182 . . . . 25.0 118.555 -178.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -114.24 -6.08 13.0 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 120.773 0.321 . . . . 25.0 110.364 175.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 82.68 -1.24 88.44 Favored Glycine 0 N--CA 1.459 0.224 0 N-CA-C 115.46 0.944 . . . . 25.0 115.46 -178.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -137.38 154.52 49.99 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.677 -0.49 . . . . 25.0 109.677 -179.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 57.3 48.22 15.36 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 114.24 1.2 . . . . 25.0 114.24 175.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 76.83 30.26 56.22 Favored Glycine 0 C--O 1.237 0.291 0 C-N-CA 120.573 -0.823 . . . . 25.0 112.234 173.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.562 HG22 ' HA3' ' A' ' 94' ' ' GLY . 18.5 p -134.19 141.78 47.18 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 105.042 -2.207 . . . . 25.0 105.042 179.103 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 31.8 mt -89.41 151.5 22.0 Favored 'General case' 0 C--O 1.215 -0.744 0 N-CA-C 115.947 1.832 . . . . 25.0 115.947 -170.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -133.04 149.26 52.2 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 104.677 -2.342 . . . . 25.0 104.677 166.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 7.2 p -131.41 150.82 34.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 109.465 -0.569 . . . . 25.0 109.465 -175.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 35.7 m -143.0 157.08 44.88 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 105.948 -1.871 . . . . 25.0 105.948 177.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 95.8 mt -129.12 160.27 33.36 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 110.015 -0.365 . . . . 25.0 110.015 -178.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 28.4 t -75.15 163.47 27.52 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 105.871 -1.9 . . . . 25.0 105.871 169.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.88 -6.57 12.65 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 113.913 1.079 . . . . 25.0 113.913 -177.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 18.2 p30 -111.36 -1.78 15.86 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.082 -0.71 . . . . 25.0 109.082 -179.242 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 70.37 1.78 37.81 Favored Glycine 0 CA--C 1.519 0.29 0 CA-C-N 115.935 -0.575 . . . . 25.0 113.55 -177.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 95.0 mt -82.86 -18.93 38.6 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 117.377 0.588 . . . . 25.0 112.204 -173.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -125.54 147.35 49.3 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.556 -0.905 . . . . 25.0 108.556 -179.255 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 33.3 m -135.35 141.86 45.65 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.93 -0.767 . . . . 25.0 108.93 -173.19 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -130.33 138.72 50.58 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 107.692 -1.225 . . . . 25.0 107.692 -178.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.6 mp -128.19 144.71 51.14 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.524 0.202 . . . . 25.0 111.189 -176.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 46.1 mmtt -127.44 153.93 45.68 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 106.296 -1.742 . . . . 25.0 106.296 179.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 18.8 t -149.93 -32.14 0.2 Allowed 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 115.166 1.543 . . . . 25.0 115.166 177.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.422 ' HA ' ' HA ' ' A' ' 127' ' ' SER . 0.2 OUTLIER 52.36 49.81 19.69 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-O 122.518 1.152 . . . . 25.0 109.876 179.852 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -55.62 116.02 2.66 Favored 'General case' 0 C--O 1.241 0.644 0 N-CA-C 115.315 1.598 . . . . 25.0 115.315 -170.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -119.9 8.21 11.05 Favored 'General case' 0 CA--C 1.511 -0.519 0 N-CA-C 113.856 1.058 . . . . 25.0 113.856 -176.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -81.11 -37.88 28.17 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 115.017 -0.992 . . . . 25.0 110.837 -178.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -130.41 -3.56 4.32 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 113.893 1.072 . . . . 25.0 113.893 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -129.97 -48.7 1.12 Allowed 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 116.068 1.877 . . . . 25.0 116.068 -177.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 75.51 33.28 52.99 Favored Glycine 0 C--O 1.237 0.342 0 N-CA-C 110.393 -1.083 . . . . 25.0 110.393 -175.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 -138.1 160.54 39.13 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 107.94 -1.133 . . . . 25.0 107.94 -176.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.422 ' HA ' ' HA ' ' A' ' 119' ' ' TYR . 18.9 t -91.32 141.23 28.99 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.343 0.592 . . . . 25.0 110.508 179.206 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -140.26 151.65 45.29 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 106.019 -1.845 . . . . 25.0 106.019 178.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -141.18 150.26 42.51 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.554 -0.906 . . . . 25.0 108.554 179.261 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 5.5 mp -128.01 159.73 34.11 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.267 -1.012 . . . . 25.0 108.267 178.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -142.38 149.21 39.08 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.03 -1.1 . . . . 25.0 108.03 177.207 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 36.9 mt -135.11 138.82 44.15 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 105.623 -1.991 . . . . 25.0 105.623 179.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -126.71 150.44 49.04 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 106.275 -1.75 . . . . 25.0 106.275 176.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 73.25 46.41 27.08 Favored Glycine 0 C--O 1.228 -0.227 0 C-N-CA 120.129 -1.034 . . . . 25.0 110.754 -179.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 57.6 m-80 -89.19 135.95 33.28 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 113.982 1.104 . . . . 25.0 113.982 -174.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 70.2 m80 -84.16 64.83 8.46 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 107.3 -1.371 . . . . 25.0 107.3 166.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -62.49 -26.12 68.37 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 115.983 -0.553 . . . . 25.0 110.318 -179.066 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -62.24 -24.65 67.37 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 115.997 -0.547 . . . . 25.0 111.516 176.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 70.4 p -121.77 29.43 7.14 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 120.51 0.195 . . . . 25.0 111.518 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.1 pp -57.94 149.93 21.73 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.674 0.749 . . . . 25.0 112.283 -176.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 30.5 t -154.11 155.03 34.65 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 106.926 -1.509 . . . . 25.0 106.926 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -90.57 2.92 55.36 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 120.834 0.349 . . . . 25.0 111.017 -179.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -63.01 -14.79 54.57 Favored Glycine 0 CA--C 1.521 0.423 0 N-CA-C 115.67 1.028 . . . . 25.0 115.67 -176.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -65.35 -23.23 66.94 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 113.464 0.913 . . . . 25.0 113.464 -178.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 67.0 mt -72.83 125.15 31.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 120.903 0.382 . . . . 25.0 110.889 -170.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 10.8 p -60.7 -27.6 41.1 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 N-CA-C 113.296 0.85 . . . . 25.0 113.296 -178.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -71.33 -19.06 62.35 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 111.596 0.221 . . . . 25.0 111.596 179.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . 55.72 -156.74 0.25 Allowed 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.369 0.668 . . . . 25.0 110.586 -178.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . 53.74 31.16 12.38 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.799 0.84 . . . . 25.0 113.089 179.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -65.83 151.44 46.67 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.074 -0.512 . . . . 25.0 110.093 -179.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 8.8 t -65.67 142.81 98.38 Favored Pre-proline 0 CA--C 1.546 0.79 0 N-CA-C 109.128 -0.693 . . . . 25.0 109.128 179.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -78.77 175.8 10.58 Favored 'Trans proline' 0 C--N 1.348 0.549 0 O-C-N 121.756 0.345 . . . . 25.0 112.808 -179.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.338 0 N-CA-C 105.172 -3.171 . . . . 25.0 105.172 176.162 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 206' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.652 0 N-CA-C 109.854 -0.424 . . . . 25.0 109.854 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.6 pm0 -156.27 157.95 36.67 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 106.036 -1.838 . . . . 25.0 106.036 -178.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -107.76 -168.6 21.68 Favored Glycine 0 C--O 1.229 -0.187 0 O-C-N 123.448 0.467 . . . . 25.0 113.791 -176.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.443 HG23 ' H ' ' A' ' 6' ' ' GLY . 6.6 t -124.2 -175.27 3.2 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 105.479 -2.045 . . . . 25.0 105.479 177.731 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -81.94 3.26 27.07 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 120.837 -1.164 . . . . 25.0 113.054 -177.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.443 ' H ' HG23 ' A' ' 4' ' ' THR . . . -85.37 -166.53 42.03 Favored Glycine 0 CA--C 1.52 0.402 0 N-CA-C 109.438 -1.465 . . . . 25.0 109.438 171.19 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 61.2 m-20 -86.83 132.93 33.7 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 118.352 1.076 . . . . 25.0 108.499 177.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -128.67 149.14 50.8 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 120.88 0.371 . . . . 50.0 111.79 -178.219 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 97.8 t -125.86 112.6 31.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 104.779 -2.304 . . . . 25.0 104.779 171.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 89.6 mt -121.61 147.97 45.15 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.738 0.304 . . . . 25.0 111.254 -174.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 41.2 mm -125.68 132.37 70.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 106.066 -1.828 . . . . 25.0 106.066 178.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -85.87 177.26 49.53 Favored Glycine 0 C--O 1.227 -0.324 0 C-N-CA 121.027 -0.606 . . . . 25.0 111.954 179.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 72.7 p -117.44 178.56 4.34 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.312 -0.996 . . . . 25.0 108.312 179.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -71.82 -19.9 61.92 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 114.549 1.314 . . . . 25.0 114.549 -175.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.8 m -79.6 166.1 2.64 Favored 'Isoleucine or valine' 0 C--O 1.24 0.592 0 N-CA-C 109.418 -0.586 . . . . 25.0 109.418 178.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.75 138.23 26.87 Favored Glycine 0 N--CA 1.452 -0.26 0 N-CA-C 110.269 -1.133 . . . . 25.0 110.269 177.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -140.44 159.47 42.12 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.409 0.623 . . . . 50.0 112.455 -174.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -118.78 108.57 15.02 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 104.952 -2.24 . . . . 25.0 104.952 172.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 78.7 mt -115.41 124.54 72.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 108.77 -0.826 . . . . 25.0 108.77 -172.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 57.3 p -116.37 133.16 56.33 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.262 0.553 . . . . 25.0 110.315 179.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -91.96 -29.38 11.72 Favored Glycine 0 C--O 1.228 -0.245 0 CA-C-N 115.932 -0.576 . . . . 25.0 112.864 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.48 -157.42 53.49 Favored Glycine 0 C--O 1.243 0.691 0 C-N-CA 120.956 -0.64 . . . . 25.0 111.769 -178.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.52 -179.41 2.99 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 121.788 -0.83 . . . . 25.0 109.351 177.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.77 168.08 36.14 Favored Glycine 0 C--O 1.244 0.751 0 C-N-CA 121.111 -0.566 . . . . 25.0 112.208 -178.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.447 ' HB3' HH12 ' A' ' 45' ' ' ARG . 39.1 m-20 -88.43 114.2 24.8 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.539 -0.911 . . . . 25.0 108.539 -178.526 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -118.88 162.52 18.36 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 113.749 1.018 . . . . 50.0 113.749 -173.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.7 ttp180 -129.23 116.55 19.33 Favored 'General case' 0 CA--C 1.508 -0.642 0 N-CA-C 104.797 -2.298 . . . . 25.0 104.797 169.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 71.5 mt -112.91 147.37 37.2 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 108.446 -0.946 . . . . 25.0 108.446 -176.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -142.7 137.76 30.09 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 104.851 -2.277 . . . . 25.0 104.851 175.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -101.05 -21.86 11.39 Favored Glycine 0 N--CA 1.449 -0.438 0 O-C-N 123.359 0.412 . . . . 25.0 112.23 -178.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 66.16 -156.67 49.94 Favored Glycine 0 C--O 1.242 0.598 0 C-N-CA 120.78 -0.724 . . . . 25.0 111.448 -176.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.96 172.88 10.12 Favored 'General case' 0 C--O 1.241 0.638 0 O-C-N 121.949 -0.736 . . . . 25.0 110.532 178.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.97 166.82 36.52 Favored Glycine 0 C--O 1.234 0.11 0 N-CA-C 110.61 -0.996 . . . . 25.0 110.61 -177.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -84.06 132.9 34.68 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 107.705 -1.22 . . . . 25.0 107.705 -178.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -135.83 154.74 51.09 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 114.458 1.281 . . . . 50.0 114.458 -171.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.4 mp -113.11 129.04 56.64 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 106.521 -1.659 . . . . 25.0 106.521 173.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.1 mp -126.1 106.98 9.97 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.914 0.388 . . . . 25.0 110.992 -178.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -95.13 107.99 20.08 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 108.863 -0.791 . . . . 25.0 108.863 -178.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -67.96 -47.73 58.36 Favored Glycine 0 C--O 1.248 0.984 0 N-CA-C 115.542 0.977 . . . . 25.0 115.542 -174.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.29 -176.84 53.96 Favored Glycine 0 C--O 1.236 0.256 0 O-C-N 122.313 -0.522 . . . . 25.0 113.003 -178.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.12 161.9 12.63 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 122.043 -0.68 . . . . 25.0 110.309 178.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.01 167.74 42.4 Favored Glycine 0 C--O 1.241 0.575 0 N-CA-C 110.483 -1.047 . . . . 25.0 110.483 -177.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.6 ptp85 -88.32 125.78 34.86 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 106.736 -1.579 . . . . 25.0 106.736 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -127.24 162.75 25.47 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 121.147 0.499 . . . . 50.0 111.367 -172.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.447 HH12 ' HB3' ' A' ' 25' ' ' ASP . 1.0 OUTLIER -127.53 123.04 34.9 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 103.891 -2.633 . . . . 25.0 103.891 177.782 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.1 mp -121.76 115.85 23.43 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.694 -0.484 . . . . 25.0 109.694 -172.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.4 m -108.12 117.32 33.84 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.925 -0.769 . . . . 25.0 108.925 -178.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -80.76 -39.0 14.68 Favored Glycine 0 C--O 1.237 0.343 0 C-N-CA 119.608 -1.282 . . . . 25.0 113.885 -176.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.34 -166.26 54.22 Favored Glycine 0 C--O 1.242 0.611 0 N-CA-C 110.652 -0.979 . . . . 25.0 110.652 -176.477 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.6 mt -65.44 156.82 31.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 122.521 -0.399 . . . . 25.0 109.945 177.253 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 93.46 168.97 38.76 Favored Glycine 0 C--O 1.245 0.811 0 N-CA-C 110.804 -0.918 . . . . 25.0 110.804 -178.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.89 125.5 32.06 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 106.779 -1.563 . . . . 25.0 106.779 178.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -125.14 145.96 49.71 Favored 'General case' 0 C--N 1.317 -0.845 0 O-C-N 122.07 -0.394 . . . . 50.0 110.49 -174.477 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.3 t -117.04 132.02 56.79 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.555 -0.906 . . . . 25.0 108.555 173.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -107.68 124.84 50.59 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 105.338 -2.097 . . . . 25.0 105.338 -178.012 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 13.4 ttt180 -127.19 149.06 50.15 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 114.577 1.325 . . . . 25.0 114.577 -163.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -75.93 165.09 25.48 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.243 -1.344 . . . . 25.0 109.245 171.137 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -134.19 -28.44 1.33 Allowed 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 109.393 -0.595 . . . . 25.0 109.393 166.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 39.5 tp -141.93 160.38 40.32 Favored 'General case' 0 C--O 1.218 -0.573 0 N-CA-C 107.215 -1.402 . . . . 25.0 107.215 178.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -64.12 -21.21 66.45 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 121.482 -0.761 . . . . 25.0 112.296 177.461 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -84.05 10.62 9.57 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.157 0.503 . . . . 25.0 111.707 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.64 -40.69 84.15 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 113.84 1.052 . . . . 25.0 113.84 -178.699 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 70.6 m -140.88 98.76 3.46 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.542 -0.91 . . . . 25.0 108.542 -179.014 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 15.7 t-80 -147.49 162.63 38.67 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 107.921 -1.14 . . . . 25.0 107.921 -171.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -135.99 159.04 42.9 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 107.945 -1.131 . . . . 25.0 107.945 171.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 88.6 p -154.73 169.71 9.74 Favored Pre-proline 0 C--N 1.323 -0.575 0 N-CA-C 106.102 -1.814 . . . . 25.0 106.102 -177.193 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -70.59 -7.83 22.22 Favored 'Trans proline' 0 CA--C 1.536 0.622 0 C-N-CA 115.53 -2.514 . . . . 25.0 113.68 177.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.7 mp -80.07 -7.18 58.73 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 109.948 -0.39 . . . . 25.0 109.948 176.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 135.85 174.17 13.28 Favored Glycine 0 N--CA 1.45 -0.395 0 CA-C-O 121.701 0.612 . . . . 25.0 112.047 178.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.1 t -82.66 145.93 29.37 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.922 -0.77 . . . . 25.0 108.922 177.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -132.42 17.06 4.44 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 106.787 -1.56 . . . . 25.0 106.787 174.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 88.4 p -77.01 150.57 35.81 Favored 'General case' 0 CA--C 1.516 -0.346 0 N-CA-C 109.091 -0.707 . . . . 25.0 109.091 -179.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -92.55 162.06 14.35 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 123.35 0.406 . . . . 50.0 111.608 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.1 tp -125.7 131.05 52.65 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.809 -1.182 . . . . 25.0 107.809 178.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 24.5 mt -108.08 141.52 23.11 Favored 'Isoleucine or valine' 0 C--O 1.238 0.478 0 CA-C-O 121.447 0.642 . . . . 25.0 109.318 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -126.85 155.93 42.16 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.078 -1.419 . . . . 25.0 107.459 -177.269 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 55.47 36.0 26.23 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.111 0.964 . . . . 25.0 111.322 176.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.463 ' HB3' ' HB2' ' A' ' 137' ' ' ALA . 47.9 t80 -83.42 123.24 29.49 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.142 -0.936 . . . . 25.0 109.37 178.025 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -100.77 110.25 60.17 Favored Pre-proline 0 C--N 1.318 -0.766 0 N-CA-C 106.664 -1.606 . . . . 25.0 106.664 177.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -68.1 -18.59 45.67 Favored 'Trans proline' 0 C--O 1.222 -0.283 0 N-CA-C 115.868 1.449 . . . . 25.0 115.868 -171.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.3 t -86.49 -11.97 50.23 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.339 0.496 . . . . 25.0 112.339 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 83.7 mm-40 -132.23 -36.19 1.16 Allowed 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 115.101 1.519 . . . . 25.0 115.101 -171.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -84.85 161.21 19.99 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.693 -0.484 . . . . 50.0 109.693 -176.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -141.23 156.99 45.83 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 122.266 -0.272 . . . . 25.0 111.602 -179.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 19.3 mt -123.01 121.31 62.84 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 CA-C-O 120.861 0.362 . . . . 25.0 110.435 178.18 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -95.38 122.28 37.93 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.251 -1.018 . . . . 25.0 108.251 176.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 24.5 m -129.75 26.05 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 CA-C-O 121.409 0.623 . . . . 25.0 112.345 -176.019 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 35.9 t -57.5 -34.79 69.43 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 114.544 1.313 . . . . 25.0 114.544 -175.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.98 -18.45 61.98 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 113.065 0.765 . . . . 25.0 113.065 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 12.8 mt -86.58 -29.89 22.27 Favored 'General case' 0 C--O 1.217 -0.605 0 N-CA-C 105.316 -2.105 . . . . 25.0 105.316 178.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 79.31 30.74 44.5 Favored Glycine 0 C--O 1.225 -0.449 0 CA-C-N 114.097 -1.41 . . . . 25.0 116.232 167.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -62.93 128.36 35.53 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.411 -1.329 . . . . 25.0 107.411 177.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 10.6 tp -126.19 -25.73 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 112.611 0.597 . . . . 25.0 112.611 -172.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.517 ' HA3' HG22 ' A' ' 102' ' ' THR . . . -98.23 151.04 19.54 Favored Glycine 0 CA--C 1.508 -0.35 0 C-N-CA 120.08 -1.057 . . . . 25.0 111.523 178.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 82.0 mt -62.83 -28.39 69.98 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 113.97 1.1 . . . . 25.0 113.97 -175.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 150.9 72.34 0.01 OUTLIER Glycine 0 C--O 1.223 -0.571 0 N-CA-C 118.167 2.027 . . . . 25.0 118.167 177.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -98.62 -5.07 32.53 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 107.956 -1.127 . . . . 25.0 107.956 173.012 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 76.19 7.62 84.73 Favored Glycine 0 C--O 1.223 -0.548 0 N-CA-C 116.549 1.38 . . . . 25.0 116.549 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.435 ' HA ' ' HB3' ' A' ' 119' ' ' TYR . 98.3 m-85 -142.37 154.01 44.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 117.842 0.821 . . . . 25.0 111.662 179.425 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 49.64 57.43 6.53 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 114.568 1.321 . . . . 25.0 114.568 171.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.1 18.21 61.4 Favored Glycine 0 C--O 1.24 0.529 0 C-N-CA 120.147 -1.025 . . . . 25.0 113.042 174.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.517 HG22 ' HA3' ' A' ' 94' ' ' GLY . 16.3 p -132.66 144.88 50.63 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 104.85 -2.278 . . . . 25.0 104.85 177.457 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 86.8 mt -96.67 156.19 16.45 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 117.453 2.39 . . . . 25.0 117.453 -167.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -132.7 156.17 47.5 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 104.67 -2.344 . . . . 25.0 104.67 169.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 11.0 p -126.36 151.57 32.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 108.782 -0.822 . . . . 25.0 108.782 -178.369 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 61.4 p -152.59 170.07 21.11 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 107.75 -1.204 . . . . 25.0 107.75 -178.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 44.9 mt -130.67 163.97 26.05 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.624 -0.51 . . . . 25.0 109.624 -178.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 99.7 p -76.62 170.08 17.08 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 106.796 -1.557 . . . . 25.0 106.796 170.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -56.34 -34.39 66.54 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 113.595 0.961 . . . . 25.0 113.595 -176.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -99.8 2.09 43.72 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.085 0.469 . . . . 25.0 111.052 -175.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 74.27 0.6 57.86 Favored Glycine 0 C--O 1.226 -0.38 0 C-N-CA 121.298 -0.477 . . . . 25.0 112.319 -174.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 74.9 mt -71.32 -6.16 37.85 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 114.31 1.226 . . . . 25.0 114.31 -175.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 79.6 mtt180 -149.6 150.99 33.06 Favored 'General case' 0 CA--C 1.509 -0.608 0 N-CA-C 108.181 -1.044 . . . . 25.0 108.181 173.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 17.9 m -119.25 144.31 46.83 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 106.216 -1.772 . . . . 25.0 106.216 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -132.43 147.82 52.39 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.133 -0.692 . . . . 25.0 109.133 179.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.6 mp -128.22 145.89 50.9 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 107.864 -1.161 . . . . 25.0 107.864 178.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 38.8 tttt -138.43 138.45 38.19 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.91 -0.404 . . . . 25.0 109.91 179.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.3 t -98.47 -17.22 18.88 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 121.455 0.645 . . . . 25.0 110.862 178.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.435 ' HB3' ' HA ' ' A' ' 99' ' ' TYR . 0.1 OUTLIER 49.3 43.93 23.25 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 122.57 1.176 . . . . 25.0 113.816 174.599 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.5 149.65 45.61 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 114.493 -1.23 . . . . 25.0 108.235 176.516 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.448 ' HA ' ' HA2' ' A' ' 125' ' ' GLY . . . -138.41 13.51 2.78 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 107.818 -1.178 . . . . 25.0 107.818 177.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.13 -31.9 70.5 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 113.082 -1.872 . . . . 25.0 112.227 -169.52 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -133.86 100.17 4.67 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.108 -0.701 . . . . 25.0 109.108 177.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 51.54 35.18 13.9 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 114.164 1.172 . . . . 25.0 114.164 177.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.448 ' HA2' ' HA ' ' A' ' 121' ' ' ALA . . . 69.68 12.83 67.88 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 115.193 0.837 . . . . 25.0 115.193 178.176 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 12.2 mtm180 -75.97 125.91 30.01 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.659 -0.867 . . . . 25.0 108.659 178.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 31.1 p -129.4 151.94 49.48 Favored 'General case' 0 C--O 1.242 0.665 0 N-CA-C 114.356 1.243 . . . . 25.0 114.356 -176.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -86.4 141.12 29.39 Favored 'General case' 0 C--O 1.244 0.769 0 CA-C-N 115.092 -0.958 . . . . 25.0 109.93 176.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -144.15 145.51 32.16 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 107.456 -1.313 . . . . 25.0 107.456 176.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 1.9 mt -129.84 165.14 22.6 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 123.33 0.652 . . . . 25.0 109.46 -177.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -142.28 150.71 41.21 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.32 0.581 . . . . 25.0 110.102 176.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 55.7 mt -132.9 149.32 52.26 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 103.82 -2.659 . . . . 25.0 103.82 176.09 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.11 179.89 6.31 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 120.001 -0.68 . . . . 25.0 110.197 179.155 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -80.8 56.43 4.78 Favored Glycine 0 C--O 1.224 -0.524 0 CA-C-O 122.288 0.938 . . . . 25.0 112.178 -176.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -109.62 -165.15 0.99 Allowed 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 103.953 -2.61 . . . . 25.0 103.953 179.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -67.36 -3.8 9.21 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 121.572 0.701 . . . . 25.0 110.913 174.346 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.463 ' HB2' ' HB3' ' A' ' 78' ' ' PHE . . . -59.89 -27.21 66.52 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.154 0.582 . . . . 25.0 111.036 172.426 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -68.62 -18.41 64.3 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 111.753 0.279 . . . . 25.0 111.753 -179.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 76.1 p -112.49 35.58 3.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.84 0.352 . . . . 25.0 110.054 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -63.23 150.44 43.07 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.748 0.785 . . . . 25.0 112.625 -179.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 37.9 t -97.85 156.72 16.46 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.115 -1.068 . . . . 25.0 108.115 176.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.0 -17.84 64.54 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.562 0.696 . . . . 25.0 110.328 176.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -73.1 -22.03 79.34 Favored Glycine 0 CA--C 1.522 0.47 0 CA-C-N 115.383 -0.826 . . . . 25.0 114.654 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -90.56 27.92 1.62 Allowed 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 118.387 1.093 . . . . 25.0 111.859 -177.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 8.0 mt -124.86 158.88 32.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 106.596 -1.631 . . . . 25.0 106.596 179.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 2.9 p -57.65 -16.89 6.44 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.759 0 N-CA-C 113.995 1.109 . . . . 25.0 113.995 -177.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -59.6 -35.42 74.28 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 111.963 0.356 . . . . 25.0 111.963 178.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . 54.16 -161.19 0.14 Allowed 'General case' 0 CA--C 1.545 0.768 0 O-C-N 123.77 0.669 . . . . 25.0 110.109 -174.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . 62.88 -26.26 0.06 Allowed 'General case' 0 N--CA 1.484 1.249 0 N-CA-C 117.041 2.238 . . . . 25.0 117.041 178.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -70.0 165.29 22.12 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.397 0.618 . . . . 25.0 111.086 179.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 12.1 t -61.4 144.77 91.68 Favored Pre-proline 0 C--O 1.242 0.689 0 CA-C-N 115.282 -0.872 . . . . 25.0 110.335 178.265 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -72.9 174.96 11.06 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 118.504 -0.531 . . . . 25.0 111.606 176.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.271 0 N-CA-C 106.196 -2.761 . . . . 25.0 106.196 177.92 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 206' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 118.26 -0.876 . . . . 25.0 109.486 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 64.09 163.57 0.13 Allowed 'General case' 0 N--CA 1.477 0.918 0 O-C-N 124.935 1.397 . . . . 25.0 111.862 -176.075 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -93.12 167.58 29.28 Favored Glycine 0 N--CA 1.454 -0.119 0 C-N-CA 121.382 -0.437 . . . . 25.0 113.803 -176.159 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.455 HG23 ' H ' ' A' ' 6' ' ' GLY . 6.6 t -96.91 -175.33 3.24 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 106.407 -1.701 . . . . 25.0 106.407 176.102 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -84.26 4.22 31.86 Favored 'General case' 0 C--N 1.322 -0.606 0 O-C-N 120.963 -1.086 . . . . 25.0 112.809 -178.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.455 ' H ' HG23 ' A' ' 4' ' ' THR . . . -85.28 -166.13 41.37 Favored Glycine 0 C--N 1.319 -0.38 0 N-CA-C 108.951 -1.659 . . . . 25.0 108.951 171.201 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -88.86 130.48 35.39 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.791 -1.188 . . . . 25.0 107.791 177.13 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -124.7 150.25 46.35 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 120.895 0.379 . . . . 50.0 111.616 -177.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 89.2 t -127.62 106.42 15.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 105.417 -2.068 . . . . 25.0 105.417 171.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 93.9 mt -122.73 143.89 49.52 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.43 -0.35 . . . . 25.0 110.69 -176.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.41 ' HA ' ' HB2' ' A' ' 29' ' ' ASP . 81.6 mt -130.79 125.38 58.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 106.883 -1.525 . . . . 25.0 106.883 177.573 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -81.27 158.59 40.14 Favored Glycine 0 N--CA 1.451 -0.361 0 CA-C-O 121.682 0.601 . . . . 25.0 113.369 -178.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 89.1 p -82.36 -179.36 7.39 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 123.319 0.647 . . . . 25.0 110.148 178.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -73.15 -14.35 61.35 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 115.112 1.523 . . . . 25.0 115.112 -176.291 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.7 m -85.39 167.86 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 108.945 -0.761 . . . . 25.0 108.945 178.088 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.85 137.11 25.11 Favored Glycine 0 N--CA 1.454 -0.154 0 C-N-CA 120.426 -0.893 . . . . 25.0 111.301 178.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -142.01 161.52 37.77 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.144 0.497 . . . . 50.0 111.566 -175.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -119.11 117.83 29.77 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 105.341 -2.096 . . . . 25.0 105.341 172.19 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 44.1 mt -126.4 118.11 50.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.374 0.607 . . . . 25.0 109.861 -175.156 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 73.6 p -108.66 141.6 40.38 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.682 -0.858 . . . . 25.0 108.682 177.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -94.68 -23.91 19.61 Favored Glycine 0 C--N 1.323 -0.158 0 N-CA-C 114.542 0.577 . . . . 25.0 114.542 -176.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.65 -159.43 53.2 Favored Glycine 0 C--O 1.246 0.847 0 N-CA-C 111.39 -0.684 . . . . 25.0 111.39 -176.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.42 178.64 3.33 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 122.129 -0.63 . . . . 25.0 109.587 177.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.75 166.84 37.98 Favored Glycine 0 C--O 1.242 0.595 0 C-N-CA 121.111 -0.566 . . . . 25.0 112.08 -178.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -91.73 112.28 24.14 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 107.479 -1.304 . . . . 25.0 107.479 -178.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -117.64 164.39 15.02 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 114.67 1.359 . . . . 50.0 114.67 -170.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 67.1 ttt180 -124.02 124.72 43.18 Favored 'General case' 0 CA--C 1.507 -0.684 0 N-CA-C 104.297 -2.483 . . . . 25.0 104.297 167.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 76.5 mt -125.12 113.05 17.2 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 107.115 -1.439 . . . . 25.0 107.115 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.41 ' HB2' ' HA ' ' A' ' 11' ' ' ILE . 6.7 m-20 -106.32 136.51 45.92 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 105.174 -2.158 . . . . 25.0 105.174 175.352 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -90.19 -27.4 20.91 Favored Glycine 0 C--N 1.322 -0.242 0 N-CA-C 112.174 -0.37 . . . . 25.0 112.174 -178.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 72.84 -159.57 53.67 Favored Glycine 0 C--O 1.243 0.704 0 N-CA-C 110.639 -0.984 . . . . 25.0 110.639 -177.017 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.93 172.39 11.69 Favored 'General case' 0 C--O 1.244 0.778 0 N-CA-C 109.538 -0.541 . . . . 25.0 109.538 178.089 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 82.33 166.73 38.82 Favored Glycine 0 C--O 1.239 0.461 0 N-CA-C 110.067 -1.213 . . . . 25.0 110.067 -176.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -85.4 129.44 34.81 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 107.518 -1.289 . . . . 25.0 107.518 -178.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -131.77 153.95 49.58 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 114.235 1.198 . . . . 50.0 114.235 -171.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.0 mp -113.89 127.71 56.09 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 106.72 -1.585 . . . . 25.0 106.72 175.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.6 mp -127.09 122.21 33.66 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.699 0.285 . . . . 25.0 111.281 -176.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -112.51 113.13 25.15 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 109.873 -0.418 . . . . 25.0 109.873 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.44 -47.8 75.09 Favored Glycine 0 C--O 1.248 1.006 0 N-CA-C 115.594 0.998 . . . . 25.0 115.594 -175.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.14 179.46 51.98 Favored Glycine 0 CA--C 1.519 0.331 0 N-CA-C 111.46 -0.656 . . . . 25.0 111.46 -176.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.71 153.54 16.45 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 122.09 -0.653 . . . . 25.0 109.885 179.345 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.84 169.77 39.96 Favored Glycine 0 C--O 1.242 0.62 0 N-CA-C 111.015 -0.834 . . . . 25.0 111.015 -176.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.5 ptt180 -94.69 127.51 40.72 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 106.425 -1.694 . . . . 25.0 106.425 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -127.6 168.52 14.89 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 116.278 -0.419 . . . . 50.0 111.853 -170.224 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.78 115.3 19.82 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 106.276 -1.75 . . . . 25.0 106.276 176.309 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.7 mp -113.29 101.1 9.09 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.632 -0.507 . . . . 25.0 109.632 -173.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.1 m -94.58 112.57 24.32 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.677 -0.49 . . . . 25.0 109.677 -178.037 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -75.18 -42.4 28.94 Favored Glycine 0 C--O 1.242 0.628 0 C-N-CA 119.44 -1.362 . . . . 25.0 113.482 -176.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.428 ' H ' ' HB2' ' A' ' 77' ' ' ASP . . . 74.48 -163.59 54.45 Favored Glycine 0 C--O 1.243 0.673 0 N-CA-C 111.141 -0.784 . . . . 25.0 111.141 -177.537 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.1 mt -63.85 155.95 28.98 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.907 0.384 . . . . 25.0 110.394 177.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 89.99 168.67 43.07 Favored Glycine 0 C--O 1.242 0.648 0 N-CA-C 110.973 -0.851 . . . . 25.0 110.973 -178.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -80.06 132.5 35.98 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 107.154 -1.424 . . . . 25.0 107.154 179.102 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -130.61 143.69 50.92 Favored 'General case' 0 C--N 1.317 -0.827 0 O-C-N 121.941 -0.475 . . . . 50.0 110.659 -176.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.1 t -120.3 131.67 54.99 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.437 -0.949 . . . . 25.0 108.437 176.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -113.18 116.5 29.9 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 105.596 -2.002 . . . . 25.0 105.596 -177.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 56.0 ttt85 -126.56 150.17 48.99 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.903 0.859 . . . . 25.0 112.528 -168.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 45.3 p90 -67.95 150.36 48.6 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.79 -1.095 . . . . 25.0 110.47 176.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -114.41 -29.24 6.94 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 107.881 -1.155 . . . . 25.0 107.881 167.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -131.73 163.03 29.08 Favored 'General case' 0 C--O 1.214 -0.811 0 N-CA-C 104.84 -2.282 . . . . 25.0 104.84 176.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 29.3 ptt180 -71.27 -19.84 62.29 Favored 'General case' 0 C--O 1.211 -0.943 0 CA-C-N 119.243 0.929 . . . . 25.0 110.416 174.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -95.16 12.46 28.71 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.733 0.778 . . . . 25.0 111.654 -175.134 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -57.3 -32.36 66.57 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.102 -0.954 . . . . 25.0 113.53 -178.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 46.3 p -133.16 85.44 2.21 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.415 -0.958 . . . . 25.0 108.415 179.177 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 43.8 t-80 -140.23 147.62 40.3 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.64 -0.709 . . . . 25.0 111.445 -170.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 47.8 mtt-85 -119.24 155.93 30.84 Favored 'General case' 0 C--O 1.22 -0.494 0 N-CA-C 108.147 -1.057 . . . . 25.0 108.147 175.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.5 t -150.03 155.73 37.71 Favored Pre-proline 0 C--N 1.318 -0.776 0 N-CA-C 104.595 -2.372 . . . . 25.0 104.595 179.266 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -67.33 -13.77 40.53 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 115.498 -2.535 . . . . 25.0 112.23 174.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 74.4 mt -86.2 -1.32 57.34 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 112.205 0.446 . . . . 25.0 112.205 178.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 144.84 164.9 10.85 Favored Glycine 0 C--O 1.225 -0.439 0 N-CA-C 111.947 -0.461 . . . . 25.0 111.947 -179.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 14.9 t -114.75 142.91 45.88 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.489 0.662 . . . . 25.0 111.113 -178.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -126.06 12.83 7.79 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 107.759 -1.2 . . . . 25.0 107.759 -178.099 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 78.2 p -66.15 140.43 58.2 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.281 -0.872 . . . . 25.0 109.575 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -93.51 158.49 15.68 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.815 0.34 . . . . 50.0 110.39 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 9.5 mp -114.49 132.53 56.25 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 105.34 -2.096 . . . . 25.0 105.34 173.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 26.8 mt -107.85 140.56 25.79 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 N-CA-C 105.269 -2.122 . . . . 25.0 105.269 176.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 62.1 mt -128.27 156.11 43.53 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.054 -0.975 . . . . 25.0 109.322 -172.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.428 ' HB2' ' H ' ' A' ' 49' ' ' GLY . 32.3 m-20 55.34 38.5 30.42 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.769 0.827 . . . . 25.0 110.126 -178.433 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -79.38 117.72 20.61 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-O 121.949 0.881 . . . . 25.0 110.544 -178.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -76.49 143.66 72.72 Favored Pre-proline 0 C--N 1.317 -0.825 0 CA-C-N 114.699 -1.137 . . . . 25.0 108.567 179.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -76.38 -12.05 18.93 Favored 'Trans proline' 0 C--N 1.341 0.157 0 N-CA-C 115.739 1.4 . . . . 25.0 115.739 -173.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.5 m -149.12 17.11 0.95 Allowed 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 113.321 0.86 . . . . 25.0 113.321 -177.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -132.18 -9.15 3.38 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 112.024 0.379 . . . . 25.0 112.024 -178.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -113.87 150.46 33.59 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.154 -1.054 . . . . 50.0 108.154 -178.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 48.1 tttm -136.94 145.42 44.21 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.022 0.379 . . . . 25.0 112.022 -170.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 58.2 mt -117.48 124.98 73.74 Favored 'Isoleucine or valine' 0 C--O 1.238 0.472 0 CA-C-O 121.069 0.461 . . . . 25.0 109.839 -178.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -111.71 114.22 27.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.135 0.493 . . . . 25.0 110.565 -178.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 15.6 m -127.53 36.35 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 CA-C-O 121.876 0.846 . . . . 25.0 110.96 -177.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.43 -15.26 24.82 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 115.166 1.543 . . . . 25.0 115.166 -177.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -76.26 -4.77 43.74 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 113.38 0.882 . . . . 25.0 113.38 -179.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 23.1 mt -104.13 -67.5 0.89 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.655 0.741 . . . . 25.0 109.623 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 84.55 159.08 29.58 Favored Glycine 0 C--O 1.223 -0.538 0 N-CA-C 107.169 -2.372 . . . . 25.0 107.169 -171.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -142.82 160.9 39.43 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 118.067 0.934 . . . . 25.0 109.184 -176.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 7.3 tp -114.69 -11.15 12.12 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 CA-C-O 121.204 0.526 . . . . 25.0 111.348 -177.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -160.81 178.67 36.7 Favored Glycine 0 C--O 1.227 -0.31 0 C-N-CA 120.604 -0.808 . . . . 25.0 112.282 179.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 64.0 mt -124.4 1.18 8.35 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 115.907 1.818 . . . . 25.0 115.907 -173.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -115.83 -31.53 1.91 Allowed Glycine 0 CA--C 1.527 0.832 0 N-CA-C 123.089 3.996 . . . . 25.0 123.089 -168.005 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 -90.9 -28.59 18.01 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 120.398 2.099 . . . . 25.0 114.306 -169.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 83.08 1.94 90.58 Favored Glycine 0 CA--C 1.51 -0.274 0 C-N-CA 121.081 -0.581 . . . . 25.0 112.154 -175.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.461 ' HA ' ' HB3' ' A' ' 119' ' ' TYR . 97.9 m-85 -140.61 162.47 35.3 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 106.504 -1.665 . . . . 25.0 106.504 -179.399 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 59.61 42.52 17.13 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 124.041 0.838 . . . . 25.0 112.27 179.318 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 72.91 20.87 80.06 Favored Glycine 0 CA--C 1.511 -0.208 0 C-N-CA 120.875 -0.678 . . . . 25.0 113.371 174.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 28.2 p -119.96 143.64 47.91 Favored 'General case' 0 CA--C 1.51 -0.568 0 N-CA-C 107.546 -1.279 . . . . 25.0 107.546 179.117 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -77.33 159.65 29.38 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 113.66 0.985 . . . . 25.0 113.66 -175.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -158.42 161.99 37.54 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 106.122 -1.807 . . . . 25.0 106.122 163.345 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 8.7 p -129.66 153.75 39.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 107.976 -1.12 . . . . 25.0 107.976 178.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 43.7 m -146.37 161.78 39.61 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.086 -1.079 . . . . 25.0 108.086 179.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 81.9 mt -125.95 160.28 30.41 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.663 -0.865 . . . . 25.0 108.663 178.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 40.1 p -80.06 166.96 21.01 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.208 0.527 . . . . 25.0 110.3 176.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -70.95 -2.37 15.02 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 114.09 1.145 . . . . 25.0 114.09 -179.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.4 p30 -116.74 0.52 12.59 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.032 -1.099 . . . . 25.0 108.032 179.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 68.32 7.45 52.11 Favored Glycine 0 C--O 1.227 -0.332 0 CA-C-N 115.855 -0.612 . . . . 25.0 113.958 179.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 82.6 mt -92.65 -12.04 32.59 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 112.937 0.717 . . . . 25.0 112.937 -174.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 20.8 mtt-85 -135.25 153.48 51.9 Favored 'General case' 0 CA--C 1.509 -0.602 0 N-CA-C 108.632 -0.877 . . . . 25.0 108.632 -169.135 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 7.3 m -133.41 147.87 51.77 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.015 -0.735 . . . . 25.0 109.015 -175.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -131.86 145.15 51.37 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 107.859 -1.163 . . . . 25.0 107.859 178.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.6 mp -129.1 144.25 51.14 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 107.008 -1.479 . . . . 25.0 107.008 -179.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 31.8 mttt -130.88 160.27 34.96 Favored 'General case' 0 C--O 1.22 -0.464 0 N-CA-C 112.245 0.461 . . . . 25.0 112.245 -179.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 48.2 t -145.37 -41.78 0.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.28 -1.378 . . . . 25.0 107.28 170.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.461 ' HB3' ' HA ' ' A' ' 99' ' ' TYR . 1.4 t80 42.76 63.31 1.49 Allowed 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 114.352 1.241 . . . . 25.0 114.352 171.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -62.69 130.14 43.65 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.045 -0.98 . . . . 25.0 109.772 -176.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -143.71 13.9 1.73 Allowed 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 122.41 1.1 . . . . 25.0 110.918 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -76.28 -33.6 59.1 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 113.619 -1.628 . . . . 25.0 111.996 -173.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -161.26 -37.51 0.05 OUTLIER 'General case' 0 C--O 1.22 -0.454 0 CA-C-N 114.736 -1.12 . . . . 25.0 110.658 -179.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 -84.14 -26.97 28.46 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.483 0.919 . . . . 25.0 113.483 -176.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 59.54 40.87 96.86 Favored Glycine 0 N--CA 1.46 0.286 0 C-N-CA 121.204 -0.522 . . . . 25.0 113.179 178.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 12.4 mmt85 -115.97 114.17 24.27 Favored 'General case' 0 CA--C 1.509 -0.614 0 CA-C-O 121.124 0.488 . . . . 25.0 110.885 -176.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.434 ' HA ' ' HA ' ' A' ' 119' ' ' TYR . 13.7 m -77.24 98.11 5.04 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.946 0.879 . . . . 25.0 111.306 178.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -94.29 119.22 32.75 Favored 'General case' 0 C--N 1.309 -1.174 0 N-CA-C 107.048 -1.464 . . . . 25.0 107.048 178.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -146.36 152.9 39.84 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.868 -1.16 . . . . 25.0 107.868 179.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 2.2 mt -128.58 160.39 32.55 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.504 -0.924 . . . . 25.0 108.504 178.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -136.1 148.17 48.15 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 107.461 -1.311 . . . . 25.0 107.461 175.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 24.8 mt -131.49 146.85 52.44 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 103.006 -2.961 . . . . 25.0 103.006 176.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -143.95 154.86 43.75 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 107.422 -1.325 . . . . 25.0 107.422 179.045 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 67.01 47.17 66.72 Favored Glycine 0 CA--C 1.516 0.154 0 N-CA-C 109.667 -1.373 . . . . 25.0 109.667 -175.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -100.69 148.35 24.97 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 115.325 1.602 . . . . 25.0 115.325 -170.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 70.0 m80 -83.07 46.66 1.14 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.444 -1.253 . . . . 25.0 109.012 169.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -61.04 -29.88 69.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.308 -0.405 . . . . 25.0 111.393 -176.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -62.24 -23.15 66.51 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 116.366 -0.379 . . . . 25.0 111.847 178.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 69.6 p -127.68 29.59 5.45 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 122.235 0.214 . . . . 25.0 111.165 -178.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 4.0 pp -63.01 161.27 13.4 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 112.84 0.682 . . . . 25.0 112.84 -175.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 16.0 t -143.2 161.84 37.19 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.879 -0.786 . . . . 25.0 108.879 177.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -93.91 170.29 9.66 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.031 0.444 . . . . 25.0 110.722 -178.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 91.35 -3.97 79.92 Favored Glycine 0 C--O 1.226 -0.371 0 N-CA-C 115.63 1.012 . . . . 25.0 115.63 174.241 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -76.19 40.31 0.21 Allowed 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 113.546 0.943 . . . . 25.0 113.546 -179.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 1.4 pp -137.09 160.43 36.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.146 0.498 . . . . 25.0 111.057 -177.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 9.1 p -59.66 -24.25 28.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 N-CA-C 115.106 1.521 . . . . 25.0 115.106 -176.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -80.78 -24.01 38.91 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 113.621 0.971 . . . . 25.0 113.621 -174.227 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . 54.86 -164.88 0.11 Allowed 'General case' 0 CA--C 1.548 0.876 0 O-C-N 123.867 0.729 . . . . 25.0 110.109 -172.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . 49.78 25.16 1.44 Allowed 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 115.799 1.777 . . . . 25.0 115.799 176.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -78.18 97.96 5.67 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 122.033 -0.417 . . . . 25.0 111.612 -177.134 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 12.8 t -68.26 145.54 97.52 Favored Pre-proline 0 C--N 1.321 -0.641 0 N-CA-C 107.263 -1.384 . . . . 25.0 107.263 173.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -72.45 163.52 38.33 Favored 'Trans proline' 0 C--O 1.239 0.547 0 C-N-CA 116.09 -2.14 . . . . 25.0 111.297 176.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.408 0 N-CA-C 105.022 -3.231 . . . . 25.0 105.022 179.191 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 206' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.862 -0.421 . . . . 25.0 109.862 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 19.8 pm0 -66.24 157.77 30.62 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.771 0.32 . . . . 25.0 111.293 179.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -111.84 -175.42 19.91 Favored Glycine 0 N--CA 1.455 -0.095 0 N-CA-C 109.244 -1.543 . . . . 25.0 109.244 176.022 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.3 t -134.06 177.83 7.43 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.377 -0.971 . . . . 25.0 108.377 -178.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -76.09 142.91 41.57 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.022 -1.103 . . . . 25.0 108.022 178.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 107.96 -174.43 19.16 Favored Glycine 0 C--O 1.229 -0.168 0 N-CA-C 106.393 -2.683 . . . . 25.0 106.393 -169.043 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -91.32 135.55 33.73 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 119.252 1.526 . . . . 25.0 110.577 -176.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -123.43 149.15 45.4 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 121.011 0.434 . . . . 50.0 110.996 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 68.0 t -129.14 104.35 10.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 105.206 -2.146 . . . . 25.0 105.206 171.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 89.1 mt -121.56 137.4 54.75 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.416 -0.356 . . . . 25.0 110.213 -175.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 75.9 mt -126.35 124.6 65.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 106.441 -1.689 . . . . 25.0 106.441 178.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -81.85 158.22 38.53 Favored Glycine 0 N--CA 1.448 -0.543 0 CA-C-O 121.801 0.667 . . . . 25.0 113.058 -178.156 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 77.8 p -88.36 -179.95 6.21 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.827 -0.687 . . . . 25.0 109.316 178.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -74.33 -12.84 60.65 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 115.0 1.481 . . . . 25.0 115.0 -175.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.5 m -84.36 168.17 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.076 -0.713 . . . . 25.0 109.076 177.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.84 138.96 27.83 Favored Glycine 0 N--CA 1.452 -0.263 0 N-CA-C 110.637 -0.985 . . . . 25.0 110.637 177.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -143.01 161.97 36.71 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.42 0.629 . . . . 50.0 112.495 -174.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -111.1 122.56 48.18 Favored 'General case' 0 C--O 1.239 0.518 0 N-CA-C 105.019 -2.215 . . . . 25.0 105.019 170.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 78.2 mt -127.04 138.19 55.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 107.658 -1.238 . . . . 25.0 107.658 -172.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 92.2 p -139.9 156.26 46.78 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 121.796 -0.565 . . . . 25.0 109.852 177.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -105.92 -34.99 3.09 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 121.345 -0.455 . . . . 25.0 112.648 178.055 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 70.7 -155.9 53.08 Favored Glycine 0 C--O 1.244 0.755 0 N-CA-C 110.131 -1.188 . . . . 25.0 110.131 -176.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.44 167.08 20.37 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 118.157 0.979 . . . . 25.0 109.175 178.045 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 88.54 171.6 46.27 Favored Glycine 0 C--O 1.243 0.699 0 CA-C-N 116.122 -0.49 . . . . 25.0 113.075 178.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -85.78 117.97 24.98 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 107.631 -1.248 . . . . 25.0 107.631 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -123.44 155.93 36.5 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 112.691 0.626 . . . . 50.0 112.691 -174.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -124.51 118.6 26.98 Favored 'General case' 0 CA--C 1.505 -0.773 0 N-CA-C 105.088 -2.19 . . . . 25.0 105.088 172.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 64.4 mt -122.77 124.01 42.37 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 108.674 -0.861 . . . . 25.0 108.674 -174.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -116.63 139.45 50.51 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 105.873 -1.899 . . . . 25.0 105.873 173.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -96.33 -29.47 8.36 Favored Glycine 0 C--N 1.321 -0.263 0 C-N-CA 121.584 -0.341 . . . . 25.0 113.016 -179.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 70.05 -158.52 53.47 Favored Glycine 0 C--O 1.245 0.828 0 N-CA-C 110.608 -0.997 . . . . 25.0 110.608 -176.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.31 173.26 9.78 Favored 'General case' 0 C--O 1.243 0.757 0 CA-C-O 121.27 0.557 . . . . 25.0 109.708 178.234 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 81.07 164.56 32.43 Favored Glycine 0 C--O 1.239 0.411 0 N-CA-C 110.081 -1.208 . . . . 25.0 110.081 -176.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -84.21 132.77 34.63 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 107.507 -1.294 . . . . 25.0 107.507 -178.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -132.85 149.27 52.28 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 113.555 0.946 . . . . 50.0 113.555 -172.361 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.4 mp -108.13 128.78 54.99 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 105.543 -2.021 . . . . 25.0 105.543 176.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.7 mp -130.52 107.02 8.9 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 113.292 0.849 . . . . 25.0 113.292 -177.107 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -100.46 104.83 16.24 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-O 121.012 0.435 . . . . 25.0 110.232 178.127 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -63.14 -44.61 96.91 Favored Glycine 0 C--O 1.249 1.046 0 N-CA-C 115.789 1.075 . . . . 25.0 115.789 -175.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.46 175.52 43.31 Favored Glycine 0 CA--C 1.518 0.224 0 O-C-N 121.887 -0.772 . . . . 25.0 112.045 -178.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.68 152.63 11.84 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 122.014 -0.698 . . . . 25.0 111.429 -179.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.13 162.72 37.55 Favored Glycine 0 C--O 1.241 0.569 0 N-CA-C 110.634 -0.986 . . . . 25.0 110.634 -177.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.6 ptp85 -81.13 134.43 35.64 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 107.737 -1.208 . . . . 25.0 107.737 -179.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -131.4 165.11 24.23 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 116.352 -0.385 . . . . 50.0 110.282 -174.015 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.7 mpt_? -128.21 121.27 29.0 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 104.084 -2.562 . . . . 25.0 104.084 178.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.6 mp -124.11 98.41 5.77 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 123.435 0.46 . . . . 25.0 111.591 -170.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.3 m -91.52 111.04 22.38 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.208 -0.664 . . . . 25.0 109.208 179.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -73.46 -41.48 44.58 Favored Glycine 0 C--O 1.243 0.671 0 C-N-CA 119.756 -1.212 . . . . 25.0 113.657 -176.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.446 ' H ' ' HB2' ' A' ' 77' ' ' ASP . . . 76.32 -165.26 53.86 Favored Glycine 0 C--O 1.247 0.922 0 N-CA-C 111.506 -0.638 . . . . 25.0 111.506 -177.182 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.9 mt -65.59 158.06 28.14 Favored 'General case' 0 C--O 1.237 0.446 0 N-CA-C 109.863 -0.421 . . . . 25.0 109.863 177.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 88.76 169.59 44.86 Favored Glycine 0 C--O 1.243 0.712 0 N-CA-C 110.976 -0.85 . . . . 25.0 110.976 -178.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.83 131.5 36.49 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 107.483 -1.302 . . . . 25.0 107.483 179.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -130.55 140.21 50.47 Favored 'General case' 0 C--N 1.316 -0.854 0 O-C-N 121.884 -0.51 . . . . 50.0 110.176 -176.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.3 t -118.26 126.28 51.83 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.875 0.845 . . . . 25.0 108.805 176.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -106.58 122.57 46.58 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 105.326 -2.102 . . . . 25.0 105.326 -178.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 58.0 ttt-85 -124.56 145.06 49.79 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 114.193 1.183 . . . . 25.0 114.193 -167.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 34.3 p90 -70.92 155.9 40.25 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.182 -0.917 . . . . 25.0 109.77 173.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -127.95 -23.2 3.39 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 116.074 -0.512 . . . . 25.0 110.321 168.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -135.07 165.98 24.11 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 107.772 -1.196 . . . . 25.0 107.772 179.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -71.21 -29.62 65.38 Favored 'General case' 0 C--O 1.205 -1.269 0 N-CA-C 109.299 -0.63 . . . . 25.0 109.299 172.135 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -98.79 18.48 16.89 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 121.866 0.841 . . . . 25.0 110.938 -176.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -55.49 -37.66 68.11 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.893 -1.048 . . . . 25.0 111.1 -178.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 75.2 m -137.02 117.73 13.99 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 105.884 -1.895 . . . . 25.0 105.884 172.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -153.42 157.99 40.76 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.001 -0.74 . . . . 25.0 109.001 -173.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 58.0 mtt85 -132.52 159.38 39.58 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 118.832 0.742 . . . . 25.0 111.466 178.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 87.2 p -151.07 164.51 19.98 Favored Pre-proline 0 C--N 1.322 -0.622 0 N-CA-C 105.828 -1.916 . . . . 25.0 105.828 179.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -70.11 -13.56 33.94 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 116.21 -2.06 . . . . 25.0 112.723 176.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 81.6 mt -84.22 -2.95 57.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.87 0.367 . . . . 25.0 111.204 178.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 145.63 160.66 8.74 Favored Glycine 0 N--CA 1.452 -0.277 0 CA-C-O 121.923 0.735 . . . . 25.0 113.333 179.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.4 t -96.19 143.43 27.3 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.389 -0.597 . . . . 25.0 109.389 179.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -126.89 17.42 7.33 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 106.073 -1.825 . . . . 25.0 106.073 176.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 29.7 t -73.98 147.18 43.24 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 114.935 -1.03 . . . . 25.0 110.476 -179.177 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -85.61 159.72 19.78 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.75 -0.659 . . . . 50.0 109.888 175.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.6 mp -122.0 124.26 43.58 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 106.612 -1.625 . . . . 25.0 106.612 175.04 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 24.7 mt -104.76 141.16 20.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 108.215 -1.031 . . . . 25.0 108.215 178.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -127.62 158.3 37.89 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.985 -1.007 . . . . 25.0 109.596 -174.096 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.446 ' HB2' ' H ' ' A' ' 49' ' ' GLY . 36.0 m-20 56.77 39.21 29.76 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.237 1.015 . . . . 25.0 111.231 178.583 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -81.34 117.7 22.03 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-N 115.518 -0.765 . . . . 25.0 111.874 -178.131 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -73.75 153.85 89.29 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 114.782 -1.099 . . . . 25.0 111.477 -178.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -74.31 -17.61 21.29 Favored 'Trans proline' 0 C--N 1.346 0.433 0 N-CA-C 116.111 1.543 . . . . 25.0 116.111 -176.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 12.0 t -153.06 12.13 0.48 Allowed 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 114.071 1.137 . . . . 25.0 114.071 -177.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -121.52 -7.76 9.14 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 112.161 0.43 . . . . 25.0 112.161 -176.158 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -113.79 148.52 36.41 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.844 -0.799 . . . . 50.0 108.844 -177.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 38.8 tptt -125.66 142.75 51.35 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.516 -0.311 . . . . 25.0 111.086 -174.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 58.6 mt -117.6 106.43 19.94 Favored 'Isoleucine or valine' 0 C--O 1.244 0.814 0 N-CA-C 108.026 -1.102 . . . . 25.0 108.026 175.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -96.05 110.64 22.85 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.241 -1.022 . . . . 25.0 108.241 177.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -137.42 31.04 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 114.969 -1.014 . . . . 25.0 109.737 -175.659 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.7 t -59.68 -33.47 71.62 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 113.97 1.1 . . . . 25.0 113.97 -175.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -80.83 0.59 34.31 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 115.339 1.607 . . . . 25.0 115.339 -174.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 42.9 mt -76.66 -52.55 9.43 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 105.746 -1.946 . . . . 25.0 105.746 175.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 79.66 145.54 3.56 Favored Glycine 0 C--O 1.226 -0.355 0 CA-C-N 113.372 -1.74 . . . . 25.0 112.101 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -146.95 157.86 43.75 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 106.897 -1.52 . . . . 25.0 106.897 -179.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 6.5 tp -113.16 -6.88 11.92 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 CA-C-O 121.186 0.517 . . . . 25.0 111.726 -176.127 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -157.92 166.04 33.85 Favored Glycine 0 C--O 1.227 -0.303 0 C-N-CA 120.427 -0.892 . . . . 25.0 112.163 178.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 63.0 mt -109.76 -2.28 17.45 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 115.79 1.774 . . . . 25.0 115.79 -172.427 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -161.24 81.51 0.14 Allowed Glycine 0 C--O 1.224 -0.476 0 N-CA-C 117.591 1.796 . . . . 25.0 117.591 -174.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -167.81 -40.02 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.011 0.524 . . . . 25.0 110.593 171.286 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 91.05 4.59 68.82 Favored Glycine 0 N--CA 1.461 0.303 0 N-CA-C 114.972 0.749 . . . . 25.0 114.972 174.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -137.53 163.07 32.05 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.058 -1.09 . . . . 25.0 108.058 179.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 56.01 37.07 28.44 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 113.061 0.763 . . . . 25.0 113.061 177.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 82.73 4.71 89.96 Favored Glycine 0 N--CA 1.453 -0.198 0 C-N-CA 121.202 -0.523 . . . . 25.0 114.1 176.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 43.7 p -100.02 142.62 31.26 Favored 'General case' 0 C--O 1.214 -0.791 0 N-CA-C 107.376 -1.342 . . . . 25.0 107.376 178.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 24.2 mt -79.66 160.23 26.41 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 114.602 1.334 . . . . 25.0 114.602 -176.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -154.39 156.79 37.47 Favored 'General case' 0 C--O 1.239 0.512 0 N-CA-C 104.339 -2.467 . . . . 25.0 104.339 167.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 9.2 p -137.14 155.43 32.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.061 -0.718 . . . . 25.0 109.061 -179.067 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 77.4 p -141.98 141.74 32.91 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 102.839 -3.023 . . . . 25.0 102.839 170.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -118.76 153.45 34.4 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 116.861 2.171 . . . . 25.0 116.861 -172.227 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 7.7 t -68.66 44.76 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 115.862 1.801 . . . . 25.0 115.862 175.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -58.43 -48.41 80.79 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 118.461 0.573 . . . . 25.0 110.9 -177.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -101.9 28.47 5.69 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.513 0.673 . . . . 25.0 109.961 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 78.83 15.79 80.13 Favored Glycine 0 CA--C 1.521 0.463 0 C-N-CA 120.922 -0.656 . . . . 25.0 111.744 -176.21 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 57.2 mt -64.45 -23.64 67.35 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 115.779 1.77 . . . . 25.0 115.779 -174.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 78.9 mtt85 90.74 146.93 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 127.518 2.327 . . . . 25.0 105.808 -174.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 47.9 m -100.61 133.92 44.34 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 107.057 -1.46 . . . . 25.0 107.057 -175.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -131.05 142.88 50.35 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.953 -0.758 . . . . 25.0 108.953 179.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 7.9 mp -119.77 134.68 55.14 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 103.426 -2.805 . . . . 25.0 103.426 175.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -131.53 153.85 49.4 Favored 'General case' 0 CA--C 1.51 -0.577 0 O-C-N 123.139 0.274 . . . . 25.0 110.557 -177.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 81.0 p -142.98 -17.64 0.67 Allowed 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 114.918 1.451 . . . . 25.0 114.918 176.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER 26.47 56.4 0.06 Allowed 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 118.235 2.68 . . . . 25.0 118.235 -176.095 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -77.16 135.6 38.55 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 109.18 -0.674 . . . . 25.0 109.18 173.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -144.39 32.31 1.2 Allowed 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 104.241 -2.503 . . . . 25.0 104.241 174.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -120.35 -105.83 0.38 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 113.528 -1.669 . . . . 25.0 110.063 -166.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -69.68 -30.82 68.57 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.761 0.282 . . . . 25.0 111.761 -178.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 96.9 mm-40 -96.72 -33.57 11.67 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.724 -0.39 . . . . 25.0 111.243 -178.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 72.16 15.54 76.71 Favored Glycine 0 CA--C 1.516 0.143 0 N-CA-C 110.911 -0.875 . . . . 25.0 110.911 -177.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 26.9 mmt180 -147.43 122.61 10.19 Favored 'General case' 0 CA--C 1.51 -0.574 0 N-CA-C 109.129 -0.693 . . . . 25.0 109.129 -175.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 59.7 p -72.4 127.68 33.3 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 107.593 -1.262 . . . . 25.0 107.593 173.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -105.21 103.59 13.16 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 106.928 -1.508 . . . . 25.0 106.928 177.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -133.87 149.82 51.35 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.438 -0.801 . . . . 25.0 109.55 -169.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -130.45 164.66 24.29 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 120.69 0.281 . . . . 25.0 111.745 -176.217 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -137.84 147.93 44.99 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.3 -1.0 . . . . 25.0 108.3 175.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 4.1 mt -138.26 138.51 38.51 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 104.515 -2.402 . . . . 25.0 104.515 176.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -120.97 149.25 42.94 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.386 -0.598 . . . . 25.0 109.386 -176.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 57.71 39.28 90.98 Favored Glycine 0 N--CA 1.463 0.452 0 N-CA-C 114.813 0.685 . . . . 25.0 114.813 173.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -91.0 164.59 13.92 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 122.157 -0.613 . . . . 25.0 112.52 -174.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 78.3 m80 -77.83 55.51 1.4 Allowed 'General case' 0 C--O 1.216 -0.676 0 CA-C-N 114.959 -1.018 . . . . 25.0 109.302 169.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -57.76 -30.15 65.39 Favored 'General case' 0 C--O 1.22 -0.458 0 N-CA-C 112.151 0.426 . . . . 25.0 112.151 -175.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -69.39 -25.45 64.16 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 112.972 0.73 . . . . 25.0 112.972 179.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 61.8 p -126.72 -4.04 6.51 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 116.076 1.88 . . . . 25.0 116.076 -175.123 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.8 pp -77.5 161.88 27.58 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 121.734 -0.604 . . . . 25.0 110.656 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 84.3 p -126.19 161.56 27.42 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.091 -0.504 . . . . 25.0 109.808 177.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.54 -13.48 62.36 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 116.481 -0.327 . . . . 25.0 111.722 178.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -63.11 -19.48 61.58 Favored Glycine 0 CA--C 1.518 0.252 0 CA-C-N 116.49 -0.323 . . . . 25.0 113.169 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -72.63 -14.27 61.56 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 122.355 -0.497 . . . . 25.0 111.172 177.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 58.2 mt -97.13 140.38 17.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 105.057 -2.201 . . . . 25.0 105.057 178.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 8.3 p -55.56 -31.82 29.21 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 N-CA-C 113.271 0.841 . . . . 25.0 113.271 -178.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -77.38 -25.63 51.09 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 113.516 0.932 . . . . 25.0 113.516 -179.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . 52.74 -156.44 0.17 Allowed 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.242 0.617 . . . . 25.0 111.784 -176.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . 61.1 -25.54 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 120.02 3.341 . . . . 25.0 120.02 174.143 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -60.41 133.97 56.61 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 113.911 1.078 . . . . 25.0 113.911 -174.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 14.3 t -83.89 151.99 61.81 Favored Pre-proline 0 C--N 1.324 -0.536 0 N-CA-C 107.847 -1.168 . . . . 25.0 107.847 175.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -71.45 165.28 32.95 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 116.694 -1.738 . . . . 25.0 112.753 176.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.476 0 N-CA-C 107.039 -2.424 . . . . 25.0 107.039 179.222 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 206' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 118.352 -0.832 . . . . 25.0 109.321 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 67.82 160.65 0.17 Allowed 'General case' 0 N--CA 1.478 0.956 0 O-C-N 125.062 1.476 . . . . 25.0 111.072 -176.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -92.66 -166.18 38.79 Favored Glycine 0 N--CA 1.452 -0.275 0 CA-C-O 121.509 0.505 . . . . 25.0 113.45 -177.074 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.442 HG23 ' H ' ' A' ' 6' ' ' GLY . 8.9 t -131.28 -176.72 4.11 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 106.09 -1.819 . . . . 25.0 106.09 178.241 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -83.21 2.9 33.42 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 114.079 1.14 . . . . 25.0 114.079 -175.385 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.442 ' H ' HG23 ' A' ' 4' ' ' THR . . . -87.4 -173.57 48.37 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 108.417 -1.873 . . . . 25.0 108.417 171.675 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 49.8 m-20 -81.04 133.15 35.43 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 118.611 1.205 . . . . 25.0 108.415 178.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -127.03 149.4 49.92 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 112.153 0.427 . . . . 50.0 112.153 -176.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 86.1 t -130.07 104.11 9.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 105.334 -2.098 . . . . 25.0 105.334 170.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 93.3 mt -121.52 138.35 54.33 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.976 -0.379 . . . . 25.0 109.976 -176.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.428 ' HA ' ' HB2' ' A' ' 29' ' ' ASP . 75.0 mt -131.06 125.5 57.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 108.454 -0.943 . . . . 25.0 108.454 -179.087 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -89.73 174.46 41.13 Favored Glycine 0 CA--C 1.519 0.288 0 CA-C-O 121.569 0.538 . . . . 25.0 113.669 -178.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.6 t -108.3 -169.61 1.54 Allowed 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 123.951 0.9 . . . . 25.0 109.41 -178.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -74.29 -17.59 60.83 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 113.551 0.945 . . . . 25.0 113.551 -175.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 36.0 m -75.25 162.55 4.37 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 N-CA-C 109.491 -0.559 . . . . 25.0 109.491 178.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.38 135.43 19.65 Favored Glycine 0 C--O 1.229 -0.163 0 N-CA-C 110.396 -1.081 . . . . 25.0 110.396 178.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -138.82 164.82 28.63 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 112.435 0.531 . . . . 75.0 112.435 -173.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -129.95 115.78 17.66 Favored 'General case' 0 C--O 1.238 0.487 0 N-CA-C 106.835 -1.543 . . . . 25.0 106.835 176.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 53.5 mt -131.12 115.7 30.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.412 0.625 . . . . 25.0 110.72 -175.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 81.2 p -101.33 138.72 37.97 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.531 -0.914 . . . . 25.0 108.531 176.057 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -88.72 -30.62 14.77 Favored Glycine 0 C--O 1.227 -0.334 0 N-CA-C 114.901 0.72 . . . . 25.0 114.901 -178.266 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.22 -161.85 49.82 Favored Glycine 0 C--O 1.244 0.738 0 CA-C-N 117.862 0.831 . . . . 25.0 111.833 -177.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.15 179.03 2.98 Favored 'General case' 0 C--N 1.322 -0.606 0 O-C-N 121.935 -0.744 . . . . 25.0 109.873 177.32 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.47 166.47 34.69 Favored Glycine 0 C--O 1.243 0.661 0 N-CA-C 111.672 -0.571 . . . . 25.0 111.672 -177.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -88.21 125.12 34.47 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 106.492 -1.67 . . . . 25.0 106.492 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -132.06 161.23 33.74 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 114.88 1.437 . . . . 50.0 114.88 -171.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -123.6 121.82 36.56 Favored 'General case' 0 CA--C 1.509 -0.614 0 N-CA-C 106.193 -1.78 . . . . 25.0 106.193 167.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -122.97 104.96 9.57 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.259 -1.015 . . . . 25.0 108.259 -178.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.428 ' HB2' ' HA ' ' A' ' 11' ' ' ILE . 9.6 m-20 -102.82 133.59 47.64 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 107.196 -1.409 . . . . 25.0 107.196 178.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -96.01 -26.44 11.45 Favored Glycine 0 C--O 1.226 -0.38 0 CA-C-N 116.263 -0.426 . . . . 25.0 113.194 -177.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 70.76 -159.56 53.8 Favored Glycine 0 CA--C 1.522 0.515 0 C-N-CA 120.794 -0.717 . . . . 25.0 111.616 -177.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.25 174.99 8.01 Favored 'General case' 0 C--O 1.245 0.828 0 O-C-N 121.776 -0.838 . . . . 25.0 110.137 179.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.82 168.37 39.17 Favored Glycine 0 C--O 1.237 0.289 0 N-CA-C 109.8 -1.32 . . . . 25.0 109.8 -176.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -83.12 139.07 33.41 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 107.216 -1.401 . . . . 25.0 107.216 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -140.42 151.7 45.11 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 113.494 0.924 . . . . 50.0 113.494 -172.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.7 mp -112.1 126.45 55.19 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 107.02 -1.474 . . . . 25.0 107.02 177.031 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.6 mp -132.69 133.47 43.58 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.674 0.62 . . . . 25.0 112.674 -176.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -116.93 138.27 51.66 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 109.067 -0.716 . . . . 25.0 109.067 175.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -85.04 -56.25 2.48 Favored Glycine 0 C--O 1.247 0.93 0 C-N-CA 120.235 -0.983 . . . . 25.0 114.225 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.81 -177.19 53.99 Favored Glycine 0 C--O 1.241 0.56 0 N-CA-C 111.406 -0.678 . . . . 25.0 111.406 -177.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.05 163.14 10.35 Favored 'General case' 0 C--O 1.24 0.594 0 N-CA-C 109.758 -0.46 . . . . 25.0 109.758 177.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 85.66 171.87 48.41 Favored Glycine 0 C--O 1.241 0.57 0 N-CA-C 110.452 -1.059 . . . . 25.0 110.452 -177.266 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.41 ' HB3' ' HA ' ' A' ' 71' ' ' PHE . 9.9 ptp85 -89.68 130.52 35.95 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 107.305 -1.369 . . . . 25.0 107.305 179.357 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -128.34 149.4 50.53 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.372 -0.376 . . . . 50.0 111.424 -173.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -123.25 111.59 16.63 Favored 'General case' 0 CA--C 1.509 -0.622 0 N-CA-C 105.587 -2.005 . . . . 25.0 105.587 179.293 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.2 mp -113.48 120.03 39.63 Favored 'General case' 0 C--O 1.214 -0.805 0 N-CA-C 109.686 -0.487 . . . . 25.0 109.686 -171.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.6 m -104.92 111.68 24.53 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.295 -0.631 . . . . 25.0 109.295 -178.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -77.23 -43.49 16.19 Favored Glycine 0 C--O 1.236 0.256 0 C-N-CA 119.777 -1.201 . . . . 25.0 112.358 -177.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 73.78 -164.44 54.78 Favored Glycine 0 C--O 1.243 0.683 0 C-N-CA 120.954 -0.641 . . . . 25.0 111.592 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.2 mp -63.94 155.45 30.82 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.483 -0.562 . . . . 25.0 109.483 178.394 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 92.68 167.96 39.5 Favored Glycine 0 C--O 1.245 0.843 0 N-CA-C 110.109 -1.196 . . . . 25.0 110.109 -178.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -84.11 130.04 34.87 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 106.531 -1.655 . . . . 25.0 106.531 178.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -126.12 145.61 50.27 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.483 -0.562 . . . . 50.0 109.483 -175.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.8 t -122.41 133.31 54.63 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.33 -0.989 . . . . 25.0 108.33 176.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -118.14 130.27 56.01 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 105.977 -1.86 . . . . 25.0 105.977 -176.193 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 59.7 ttt-85 -132.08 148.38 52.49 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.479 0.657 . . . . 25.0 112.4 -174.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -67.65 158.57 31.88 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.297 -1.001 . . . . 25.0 108.297 171.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -109.39 -38.53 5.45 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 107.189 -1.412 . . . . 25.0 107.189 167.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.2 tp -145.34 170.42 16.36 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.979 -0.749 . . . . 25.0 108.979 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 17.1 ttm180 -59.21 -31.89 69.44 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 121.54 0.686 . . . . 25.0 110.976 176.264 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -74.44 6.81 3.37 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 114.166 1.173 . . . . 25.0 114.166 -178.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.25 -36.02 76.81 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 113.544 0.942 . . . . 25.0 113.544 -178.434 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 38.2 p -149.52 104.09 3.33 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 118.438 0.563 . . . . 25.0 112.023 -176.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.427 ' HD2' ' CD1' ' A' ' 128' ' ' PHE . 8.3 t-80 -152.18 160.94 43.29 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.834 0.35 . . . . 25.0 110.286 -178.015 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 22.6 mtm105 -100.68 152.77 20.06 Favored 'General case' 0 C--O 1.216 -0.672 0 N-CA-C 106.952 -1.499 . . . . 25.0 106.952 174.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 28.5 t -150.52 158.0 36.09 Favored Pre-proline 0 C--N 1.319 -0.72 0 N-CA-C 106.465 -1.68 . . . . 25.0 106.465 -176.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -67.19 -13.7 40.54 Favored 'Trans proline' 0 CA--C 1.538 0.72 0 C-N-CA 115.578 -2.482 . . . . 25.0 112.739 173.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.9 mp -76.04 -6.34 50.63 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.396 0.617 . . . . 25.0 110.592 175.34 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 127.23 170.85 12.94 Favored Glycine 0 N--CA 1.45 -0.377 0 N-CA-C 109.117 -1.593 . . . . 25.0 109.117 -178.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 9.7 t -85.55 139.65 31.28 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.532 -0.914 . . . . 25.0 108.532 178.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.41 ' HA ' ' HB3' ' A' ' 43' ' ' ARG . 97.8 m-85 -117.56 25.36 10.47 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.481 -1.303 . . . . 25.0 107.481 178.093 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.5 t -65.1 144.07 57.48 Favored 'General case' 0 C--O 1.242 0.707 0 CA-C-N 114.325 -1.307 . . . . 25.0 110.004 177.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -95.45 149.34 21.5 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.575 -0.739 . . . . 50.0 109.94 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.9 mp -121.28 130.61 53.75 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 106.002 -1.851 . . . . 25.0 106.002 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 18.8 mt -108.31 139.43 30.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 N-CA-C 106.4 -1.704 . . . . 25.0 106.4 176.337 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 49.9 mt -120.55 151.64 39.14 Favored 'General case' 0 C--N 1.311 -1.071 0 N-CA-C 108.254 -1.017 . . . . 25.0 108.254 -174.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 53.8 43.5 30.89 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-O 121.941 0.877 . . . . 25.0 109.384 -178.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -91.75 126.44 36.83 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.911 -1.04 . . . . 25.0 111.757 -175.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -96.31 101.99 10.01 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.123 -0.944 . . . . 25.0 109.148 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -67.59 -12.05 34.25 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 117.295 -1.337 . . . . 25.0 114.942 -176.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 39.4 t -87.99 -17.22 31.69 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.696 0.999 . . . . 25.0 113.696 177.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -132.92 -35.71 1.06 Allowed 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 114.77 1.396 . . . . 25.0 114.77 -170.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -78.15 159.39 28.64 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.322 -0.621 . . . . 50.0 109.322 -177.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 41.8 tptt -128.31 142.09 51.24 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 112.042 0.386 . . . . 25.0 112.042 -177.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 54.8 mt -122.69 110.63 27.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.668 0 C-N-CA 122.83 0.452 . . . . 25.0 110.7 179.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.09 114.27 26.06 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.612 0.72 . . . . 25.0 110.07 176.076 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.5 m -137.27 30.43 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 CA-C-N 115.136 -0.938 . . . . 25.0 109.792 -177.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.9 t -63.64 -36.89 85.32 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 113.081 0.771 . . . . 25.0 113.081 -176.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.57 -11.22 59.68 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 115.568 1.692 . . . . 25.0 115.568 -174.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 46.8 mt -66.85 -47.15 72.83 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 106.279 -1.748 . . . . 25.0 106.279 178.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 80.37 151.01 6.98 Favored Glycine 0 C--O 1.225 -0.411 0 CA-C-N 113.624 -1.625 . . . . 25.0 111.498 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -144.59 159.73 42.32 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 106.473 -1.677 . . . . 25.0 106.473 -177.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 10.8 tt -110.17 -7.9 11.46 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 N-CA-C 113.169 0.803 . . . . 25.0 113.169 -171.057 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -147.95 174.92 27.51 Favored Glycine 0 C--O 1.226 -0.374 0 C-N-CA 120.29 -0.957 . . . . 25.0 114.559 -178.032 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 77.5 mt -67.33 -24.55 65.74 Favored 'General case' 0 C--O 1.221 -0.407 0 N-CA-C 117.355 2.354 . . . . 25.0 117.355 -169.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 137.3 68.69 0.05 OUTLIER Glycine 0 C--O 1.221 -0.704 0 N-CA-C 116.73 1.452 . . . . 25.0 116.73 179.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -102.94 -11.03 18.51 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.558 -0.534 . . . . 25.0 109.558 177.324 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 79.38 -1.96 73.96 Favored Glycine 0 CA--C 1.523 0.556 0 CA-C-N 116.116 -0.493 . . . . 25.0 114.203 -178.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -135.63 161.23 36.12 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.983 -0.747 . . . . 25.0 108.983 -179.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 56.38 37.88 29.22 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 113.724 1.009 . . . . 25.0 113.724 177.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 84.62 29.21 30.25 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.818 -0.706 . . . . 25.0 113.56 174.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 38.8 p -130.69 148.84 52.53 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 106.575 -1.639 . . . . 25.0 106.575 -178.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -94.74 141.4 28.67 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 117.085 2.254 . . . . 25.0 117.085 -168.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -146.42 159.79 42.93 Favored 'General case' 0 C--O 1.239 0.537 0 N-CA-C 106.074 -1.825 . . . . 25.0 106.074 169.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 7.3 p -124.87 143.31 38.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 104.985 -2.228 . . . . 25.0 104.985 176.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 39.4 p -138.2 152.44 48.63 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.654 -0.499 . . . . 25.0 109.654 -174.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 49.8 mt -107.91 156.91 18.67 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.523 0.677 . . . . 25.0 109.904 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 33.2 p -75.48 169.67 17.63 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.591 -0.892 . . . . 25.0 108.591 174.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.63 -11.18 23.07 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 114.748 1.388 . . . . 25.0 114.748 -179.112 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 48.0 p30 -116.67 0.43 12.61 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.314 0.578 . . . . 25.0 109.563 179.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 69.82 2.36 36.99 Favored Glycine 0 C--O 1.225 -0.444 0 CA-C-N 115.797 -0.638 . . . . 25.0 113.952 -178.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 87.7 mt -88.15 -5.77 58.24 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 117.49 0.645 . . . . 25.0 112.503 -173.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 85.2 mtt-85 -137.11 156.27 48.58 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 106.955 -1.498 . . . . 25.0 106.955 178.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 7.0 m -135.88 147.38 48.17 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 107.935 -1.135 . . . . 25.0 107.935 -178.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -132.62 134.48 44.94 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 110.189 -0.3 . . . . 25.0 110.189 178.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 8.4 mp -101.11 132.49 46.54 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 105.584 -2.006 . . . . 25.0 105.584 178.313 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -126.32 147.21 49.77 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.154 0.427 . . . . 25.0 112.154 -174.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 34.2 t -135.81 -34.59 0.81 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.637 -1.165 . . . . 25.0 110.383 175.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER 41.98 53.1 4.25 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 114.848 -1.069 . . . . 25.0 113.605 -179.075 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -56.9 135.25 55.91 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.444 -1.317 . . . . 25.0 107.444 175.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -145.21 43.29 1.31 Allowed 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.723 0.638 . . . . 25.0 112.723 -168.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -56.21 -36.9 68.95 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 120.994 0.425 . . . . 25.0 112.031 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -159.63 -39.03 0.06 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.851 -0.613 . . . . 25.0 112.615 178.294 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 49.6 mm-40 -111.66 -1.62 15.65 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 116.438 2.014 . . . . 25.0 116.438 -171.164 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 62.79 40.22 98.96 Favored Glycine 0 CA--C 1.521 0.464 0 C-N-CA 120.159 -1.019 . . . . 25.0 113.65 178.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 25.6 mmt180 -112.0 128.48 56.19 Favored 'General case' 0 C--O 1.214 -0.766 0 N-CA-C 102.989 -2.967 . . . . 25.0 102.989 179.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 77.4 p -139.98 165.7 26.62 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 116.971 2.211 . . . . 25.0 116.971 -162.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.427 ' CD1' ' HD2' ' A' ' 64' ' ' HIS . 83.4 m-85 -78.39 111.35 14.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.021 -0.991 . . . . 25.0 108.839 170.326 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -139.61 144.85 37.91 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 109.202 -0.666 . . . . 25.0 109.202 176.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.9 mp -136.19 162.05 34.04 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 107.019 -1.474 . . . . 25.0 107.019 179.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -137.43 155.33 49.47 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.3 -0.63 . . . . 25.0 109.3 176.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 35.0 mt -131.17 139.41 49.75 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 104.807 -2.294 . . . . 25.0 104.807 177.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -126.9 149.51 49.75 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.812 -0.44 . . . . 25.0 109.812 178.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 77.21 43.76 15.46 Favored Glycine 0 C--O 1.225 -0.418 0 N-CA-C 110.365 -1.094 . . . . 25.0 110.365 178.367 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 24.9 m120 -96.49 149.4 21.78 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 114.466 1.284 . . . . 25.0 114.466 -172.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -88.51 92.72 9.29 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.251 -1.341 . . . . 25.0 110.801 177.34 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -63.93 -26.45 68.6 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.205 -0.665 . . . . 25.0 109.205 173.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -60.67 -26.07 66.82 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.719 -0.673 . . . . 25.0 110.517 176.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 69.3 p -125.54 39.47 3.95 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 116.622 -0.263 . . . . 25.0 110.63 177.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.2 pp -57.61 137.81 55.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.643 0.735 . . . . 25.0 110.607 -177.076 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 40.8 t -160.46 151.02 18.39 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.291 -1.003 . . . . 25.0 108.291 -177.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -108.81 1.06 20.7 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.829 -0.804 . . . . 25.0 108.829 175.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -74.45 -14.46 80.95 Favored Glycine 0 C--N 1.332 0.312 0 CA-C-N 116.235 -0.439 . . . . 25.0 113.503 -176.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 13.1 p30 -72.38 -18.54 61.73 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 122.267 -0.549 . . . . 25.0 111.149 178.047 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 65.6 mt -77.89 140.91 16.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 104.979 -2.23 . . . . 25.0 104.979 175.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 10.2 p -56.96 -31.9 37.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 N-CA-C 112.942 0.719 . . . . 25.0 112.942 179.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -73.91 -29.84 62.27 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 122.321 -0.237 . . . . 25.0 111.535 177.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . 60.64 169.68 0.09 Allowed 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.109 1.364 . . . . 25.0 113.468 -177.367 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . 48.3 27.64 1.39 Allowed 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 116.879 2.177 . . . . 25.0 116.879 175.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -63.47 139.75 58.8 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 108.433 -0.951 . . . . 25.0 108.433 177.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 8.9 t -64.08 140.21 97.84 Favored Pre-proline 0 C--O 1.239 0.511 0 CA-C-N 116.383 -0.371 . . . . 25.0 110.394 -178.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -77.66 175.21 11.51 Favored 'Trans proline' 0 C--N 1.353 0.805 0 O-C-N 121.991 0.469 . . . . 25.0 112.406 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.51 0 N-CA-C 107.111 -2.396 . . . . 25.0 107.111 179.257 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 206' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 1.991 0 CA-C-O 119.471 -0.3 . . . . 25.0 110.517 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 44.39 -159.87 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 125.415 1.486 . . . . 25.0 114.837 -176.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -176.23 -163.56 28.96 Favored Glycine 0 C--N 1.329 0.162 0 N-CA-C 106.84 -2.504 . . . . 25.0 106.84 -177.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.3 t -146.9 175.34 10.73 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 118.291 1.045 . . . . 25.0 108.998 -179.11 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -81.3 142.72 32.83 Favored 'General case' 0 C--N 1.321 -0.642 0 O-C-N 121.242 -0.911 . . . . 25.0 109.003 177.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 122.53 -177.16 16.54 Favored Glycine 0 C--O 1.223 -0.554 0 N-CA-C 107.337 -2.305 . . . . 25.0 107.337 -172.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 20.5 m-20 -91.02 115.64 28.17 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 119.779 1.789 . . . . 25.0 108.6 179.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -111.47 157.72 19.97 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.232 0.539 . . . . 50.0 111.566 -173.02 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 93.5 t -123.4 112.94 35.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 103.41 -2.811 . . . . 25.0 103.41 164.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 53.8 mt -119.22 131.91 55.88 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.736 -0.839 . . . . 25.0 108.736 -174.056 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 80.1 mt -129.98 128.28 64.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 107.526 -1.287 . . . . 25.0 107.526 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -86.34 158.29 31.19 Favored Glycine 0 N--CA 1.448 -0.517 0 CA-C-O 121.685 0.603 . . . . 25.0 113.67 -178.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.9 t -81.93 178.33 8.36 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.511 -0.922 . . . . 25.0 108.511 176.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -74.21 -16.66 60.96 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.784 0.661 . . . . 25.0 112.784 -178.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.6 m -78.95 165.79 2.81 Favored 'Isoleucine or valine' 0 C--O 1.239 0.534 0 N-CA-C 109.431 -0.581 . . . . 25.0 109.431 177.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.23 140.14 28.0 Favored Glycine 0 CA--C 1.516 0.154 0 N-CA-C 110.903 -0.879 . . . . 25.0 110.903 177.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -144.75 167.41 22.64 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.312 0.577 . . . . 50.0 112.475 -175.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -115.55 120.5 39.67 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 105.303 -2.11 . . . . 25.0 105.303 167.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 74.3 mt -123.43 133.21 69.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 106.513 -1.662 . . . . 25.0 106.513 -175.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.8 p -135.8 128.2 30.36 Favored 'General case' 0 C--O 1.215 -0.727 0 N-CA-C 108.58 -0.896 . . . . 25.0 108.58 -178.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -81.12 -22.2 61.44 Favored Glycine 0 C--O 1.227 -0.321 0 C-N-CA 120.274 -0.965 . . . . 25.0 112.819 -177.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 65.35 -154.93 49.96 Favored Glycine 0 C--O 1.244 0.758 0 N-CA-C 110.727 -0.949 . . . . 25.0 110.727 -177.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.13 165.87 24.2 Favored 'General case' 0 C--O 1.245 0.868 0 O-C-N 122.062 -0.67 . . . . 25.0 109.469 178.031 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 89.48 169.46 44.1 Favored Glycine 0 C--O 1.239 0.451 0 CA-C-N 115.261 -0.881 . . . . 25.0 111.819 -179.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -92.08 112.5 24.46 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 107.707 -1.22 . . . . 25.0 107.707 -177.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -119.18 157.24 28.36 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 113.287 0.847 . . . . 50.0 113.287 -171.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 59.5 ttt85 -115.71 123.95 49.61 Favored 'General case' 0 CA--C 1.509 -0.627 0 N-CA-C 105.444 -2.058 . . . . 25.0 105.444 165.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.9 mp -111.14 142.56 43.15 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 105.914 -1.884 . . . . 25.0 105.914 178.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.418 ' HA ' ' HB ' ' A' ' 47' ' ' THR . 34.3 t0 -132.5 136.09 46.43 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 104.287 -2.486 . . . . 25.0 104.287 168.3 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -91.47 -22.57 31.28 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 111.025 -0.83 . . . . 25.0 111.025 -179.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 67.91 -159.75 50.81 Favored Glycine 0 C--O 1.249 1.087 0 N-CA-C 109.778 -1.329 . . . . 25.0 109.778 -174.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.24 173.06 10.01 Favored 'General case' 0 C--O 1.245 0.856 0 O-C-N 122.086 -0.656 . . . . 25.0 110.143 178.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 81.59 166.3 36.67 Favored Glycine 0 C--O 1.238 0.37 0 N-CA-C 110.706 -0.957 . . . . 25.0 110.706 -177.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -83.59 132.9 34.88 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 106.918 -1.512 . . . . 25.0 106.918 -179.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -135.35 153.56 51.8 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 113.997 1.11 . . . . 50.0 113.997 -172.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.2 mp -106.37 125.85 51.51 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 104.832 -2.284 . . . . 25.0 104.832 174.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.8 mp -126.59 107.06 9.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.115 0.483 . . . . 25.0 111.297 -177.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -100.62 118.32 36.53 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.926 -0.768 . . . . 25.0 108.926 -178.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -68.59 -48.75 48.37 Favored Glycine 0 C--O 1.249 1.054 0 C-N-CA 120.273 -0.965 . . . . 25.0 114.886 -175.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.97 177.0 50.24 Favored Glycine 0 C--O 1.237 0.294 0 N-CA-C 111.2 -0.76 . . . . 25.0 111.2 -176.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.64 153.83 15.67 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 122.078 -0.66 . . . . 25.0 110.068 179.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 94.55 168.37 36.91 Favored Glycine 0 C--O 1.241 0.566 0 N-CA-C 111.091 -0.804 . . . . 25.0 111.091 -177.132 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.7 ptp85 -90.49 123.37 34.13 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 107.038 -1.467 . . . . 25.0 107.038 -179.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -124.0 157.77 33.64 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.258 -0.428 . . . . 50.0 111.505 -171.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -123.25 104.81 9.38 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 106.115 -1.809 . . . . 25.0 106.115 179.42 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.5 mp -102.54 113.0 26.0 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.082 -0.508 . . . . 25.0 109.691 -171.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.418 ' HB ' ' HA ' ' A' ' 29' ' ' ASP . 11.9 m -102.88 118.66 37.31 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 107.849 -1.167 . . . . 25.0 107.849 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -82.2 -39.38 11.39 Favored Glycine 0 C--O 1.245 0.844 0 C-N-CA 119.539 -1.315 . . . . 25.0 113.008 -176.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.52 -163.21 54.27 Favored Glycine 0 C--O 1.244 0.724 0 N-CA-C 110.564 -1.014 . . . . 25.0 110.564 -176.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 85.7 mt -64.47 157.56 26.3 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.004 0.43 . . . . 25.0 111.024 179.145 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 90.57 168.62 42.47 Favored Glycine 0 C--O 1.243 0.711 0 CA-C-N 115.379 -0.828 . . . . 25.0 111.065 -178.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.48 128.11 34.25 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 106.667 -1.605 . . . . 25.0 106.667 178.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -124.98 141.17 52.3 Favored 'General case' 0 C--N 1.318 -0.795 0 O-C-N 122.057 -0.402 . . . . 50.0 110.381 -175.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.1 t -112.35 118.39 35.11 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 107.74 -1.207 . . . . 25.0 107.74 176.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -99.33 128.33 45.44 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 106.566 -1.642 . . . . 25.0 106.566 -178.089 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -131.39 152.2 50.85 Favored 'General case' 0 CA--C 1.505 -0.782 0 N-CA-C 115.44 1.645 . . . . 25.0 115.44 -168.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -78.1 156.77 29.78 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 113.371 -1.74 . . . . 25.0 107.122 168.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -124.05 -3.97 8.03 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.678 -0.86 . . . . 25.0 108.678 168.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 32.8 tp -159.36 163.26 35.72 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 105.377 -2.083 . . . . 25.0 105.377 -178.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 40.0 ptt180 -69.77 -27.03 64.58 Favored 'General case' 0 C--O 1.21 -0.99 0 CA-C-N 119.327 0.967 . . . . 25.0 109.982 175.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -88.52 10.83 18.94 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.906 0.86 . . . . 25.0 111.374 -174.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -61.19 -35.46 77.21 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.212 -0.904 . . . . 25.0 112.802 -178.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.1 t -144.72 104.41 4.02 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.61 0.719 . . . . 25.0 110.115 -179.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -145.96 156.72 43.7 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.25 -1.018 . . . . 25.0 108.25 -172.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 49.9 mtm-85 -130.49 134.14 46.83 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 119.066 0.848 . . . . 25.0 110.405 175.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 24.5 t -124.88 154.8 70.9 Favored Pre-proline 0 C--N 1.324 -0.534 0 N-CA-C 106.673 -1.602 . . . . 25.0 106.673 -178.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -67.45 -15.55 45.57 Favored 'Trans proline' 0 CA--C 1.536 0.615 0 C-N-CA 115.996 -2.203 . . . . 25.0 112.696 173.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.8 mp -78.65 -9.4 59.38 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 120.885 0.374 . . . . 25.0 110.545 176.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 152.36 150.37 5.36 Favored Glycine 0 N--CA 1.451 -0.344 0 CA-C-O 121.663 0.591 . . . . 25.0 111.932 179.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.4 t -85.77 141.54 29.6 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.091 -0.707 . . . . 25.0 109.091 178.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -124.65 12.58 8.61 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 107.21 -1.404 . . . . 25.0 107.21 175.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 87.5 p -73.0 143.12 47.7 Favored 'General case' 0 C--O 1.244 0.783 0 CA-C-O 121.373 0.606 . . . . 25.0 110.14 -176.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -82.57 156.23 24.07 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.207 -0.906 . . . . 50.0 109.243 178.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.1 mp -120.91 127.81 52.2 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 105.076 -2.194 . . . . 25.0 105.076 177.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 39.5 mt -100.24 140.89 18.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 105.679 -1.971 . . . . 25.0 105.679 175.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -122.99 146.44 47.62 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 107.659 -1.238 . . . . 25.0 107.659 -174.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 53.47 44.18 30.28 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 122.452 1.12 . . . . 25.0 110.941 176.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -80.66 129.65 34.64 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.329 -1.305 . . . . 25.0 109.816 179.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -97.87 104.81 23.54 Favored Pre-proline 0 C--N 1.324 -0.521 0 N-CA-C 109.244 -0.65 . . . . 25.0 109.244 178.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -73.05 4.33 3.82 Favored 'Trans proline' 0 C--N 1.343 0.285 0 N-CA-C 114.998 1.115 . . . . 25.0 114.998 -177.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 26.5 t -102.32 -8.01 21.58 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 122.192 0.197 . . . . 25.0 111.427 176.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -144.48 -35.8 0.34 Allowed 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 115.351 1.611 . . . . 25.0 115.351 -173.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -80.42 153.49 28.23 Favored 'General case' 0 C--N 1.322 -0.589 0 O-C-N 122.213 -0.305 . . . . 50.0 110.769 -173.037 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 39.8 tptt -131.66 150.24 52.22 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 109.887 -0.412 . . . . 25.0 109.887 -175.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 43.7 mt -123.6 119.9 58.5 Favored 'Isoleucine or valine' 0 C--O 1.241 0.655 0 N-CA-C 109.375 -0.602 . . . . 25.0 109.375 179.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -90.99 129.01 37.04 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.937 -1.134 . . . . 25.0 107.937 177.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 31.2 m -133.42 21.51 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 CA-C-O 121.482 0.658 . . . . 25.0 111.849 -176.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 25.1 t -55.97 -40.18 72.87 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 114.324 1.231 . . . . 25.0 114.324 -174.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.61 -13.06 61.29 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 113.501 0.926 . . . . 25.0 113.501 -179.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 14.0 mt -87.9 -33.09 18.62 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 106.07 -1.826 . . . . 25.0 106.07 -179.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 70.36 37.48 70.35 Favored Glycine 0 C--O 1.226 -0.354 0 N-CA-C 116.792 1.477 . . . . 25.0 116.792 168.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -58.88 134.5 56.97 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.705 -0.85 . . . . 25.0 108.705 177.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 9.7 tp -124.77 -22.26 2.47 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 N-CA-C 114.297 1.221 . . . . 25.0 114.297 -170.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.685 ' HA3' HG22 ' A' ' 102' ' ' THR . . . -105.64 158.5 15.77 Favored Glycine 0 C--O 1.229 -0.207 0 C-N-CA 120.683 -0.77 . . . . 25.0 114.376 -178.339 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 85.2 mt -59.37 -37.52 78.12 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 116.204 1.927 . . . . 25.0 116.204 -173.244 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 146.63 70.02 0.01 OUTLIER Glycine 0 C--O 1.221 -0.701 0 N-CA-C 121.395 3.318 . . . . 25.0 121.395 176.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -97.67 -11.14 23.86 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 108.751 -0.833 . . . . 25.0 108.751 170.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 85.15 1.08 88.63 Favored Glycine 0 N--CA 1.459 0.231 0 CA-C-N 115.953 -0.567 . . . . 25.0 114.337 179.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -140.76 158.01 44.59 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.654 -0.869 . . . . 25.0 108.654 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 56.02 48.89 16.82 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 113.944 1.09 . . . . 25.0 113.944 175.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 83.41 10.72 81.58 Favored Glycine 0 CA--C 1.51 -0.219 0 C-N-CA 120.693 -0.765 . . . . 25.0 114.108 172.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.685 HG22 ' HA3' ' A' ' 94' ' ' GLY . 21.1 p -118.54 131.02 56.23 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.907 -1.146 . . . . 25.0 107.907 -177.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -94.6 124.32 38.57 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 116.122 1.897 . . . . 25.0 116.122 -169.34 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -119.57 166.67 12.85 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 109.039 -0.726 . . . . 25.0 109.039 173.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 8.6 p -125.66 152.21 32.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 108.565 -0.902 . . . . 25.0 108.565 -177.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 38.2 m -143.0 161.55 37.81 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 107.366 -1.346 . . . . 25.0 107.366 179.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 26.6 mt -126.59 157.46 38.82 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.641 -0.503 . . . . 25.0 109.641 -179.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 29.4 t -75.76 159.61 30.88 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 106.926 -1.509 . . . . 25.0 106.926 172.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -66.45 -9.19 31.71 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 113.646 0.98 . . . . 25.0 113.646 -177.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 22.9 p30 -110.7 0.34 17.4 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.653 -0.869 . . . . 25.0 108.653 -179.035 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 68.02 4.01 32.8 Favored Glycine 0 C--O 1.226 -0.357 0 CA-C-N 115.71 -0.677 . . . . 25.0 113.986 -177.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 96.3 mt -83.39 -14.27 53.11 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 117.527 0.663 . . . . 25.0 112.431 -173.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 82.2 mtt85 -136.17 154.02 51.08 Favored 'General case' 0 CA--C 1.506 -0.718 0 N-CA-C 109.348 -0.612 . . . . 25.0 109.348 -178.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 4.5 m -134.15 150.02 51.08 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 106.939 -1.504 . . . . 25.0 106.939 -178.271 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -133.33 144.75 49.85 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.108 -1.071 . . . . 25.0 108.108 -178.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 8.2 mp -124.62 132.93 53.4 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 106.507 -1.664 . . . . 25.0 106.507 179.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 67.0 tttt -138.75 132.16 30.28 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 111.518 0.192 . . . . 25.0 111.518 -176.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.2 t -120.25 -27.17 5.31 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 123.776 0.673 . . . . 25.0 111.489 176.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 5.4 t80 44.67 53.61 7.12 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-O 122.537 1.16 . . . . 25.0 112.761 177.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.48 158.21 36.47 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 113.678 -1.601 . . . . 25.0 111.288 -178.245 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -139.29 11.29 2.56 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 122.84 1.305 . . . . 25.0 107.692 171.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -79.81 -41.3 26.72 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 113.351 -1.75 . . . . 25.0 110.187 -171.215 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -82.56 66.71 8.29 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.125 -0.943 . . . . 25.0 110.81 -179.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 3.5 tm0? 62.13 38.22 13.94 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 122.061 0.934 . . . . 25.0 110.311 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 67.48 30.0 74.64 Favored Glycine 0 C--N 1.322 -0.227 0 CA-C-N 115.342 -0.845 . . . . 25.0 113.825 178.063 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 25.6 mmt180 -114.27 134.72 54.74 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.918 -1.141 . . . . 25.0 107.918 178.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 56.9 p -102.99 152.1 21.72 Favored 'General case' 0 C--N 1.322 -0.589 0 O-C-N 124.004 0.815 . . . . 25.0 110.338 -178.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -126.62 138.57 53.46 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.623 -0.88 . . . . 25.0 108.623 178.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -147.3 151.47 36.65 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.148 -1.056 . . . . 25.0 108.148 -175.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 2.2 mt -132.85 169.06 17.3 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 122.854 0.462 . . . . 25.0 111.26 -175.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -148.21 160.33 43.05 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.747 -0.834 . . . . 25.0 108.747 175.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 40.8 mt -138.32 139.49 39.11 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 105.586 -2.005 . . . . 25.0 105.586 179.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.98 144.79 51.74 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 106.708 -1.589 . . . . 25.0 106.708 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 56.95 50.1 66.52 Favored Glycine 0 C--O 1.228 -0.249 0 C-N-CA 120.356 -0.926 . . . . 25.0 112.173 176.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -107.6 161.48 14.82 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 122.372 -0.487 . . . . 25.0 109.982 -176.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 71.1 m80 -77.43 67.7 3.41 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.982 -0.748 . . . . 25.0 108.982 172.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -61.29 -29.94 70.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.942 -0.572 . . . . 25.0 110.278 -179.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -61.05 -26.76 67.85 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.928 -0.578 . . . . 25.0 111.684 178.064 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 66.8 p -126.3 26.8 6.35 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 111.943 0.349 . . . . 25.0 111.943 -179.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.4 pp -64.43 154.04 36.9 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.414 0.626 . . . . 25.0 111.835 -175.196 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 99.5 p -149.93 142.93 24.9 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.784 -0.821 . . . . 25.0 108.784 176.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -86.09 -4.93 59.27 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 121.107 0.48 . . . . 25.0 111.466 -178.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -67.62 -10.84 58.88 Favored Glycine 0 C--O 1.227 -0.325 0 C-N-CA 121.29 -0.481 . . . . 25.0 114.031 -178.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -87.64 -6.24 58.36 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 112.563 0.579 . . . . 25.0 112.563 -178.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 84.7 mt -74.67 144.1 12.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 102.565 -3.124 . . . . 25.0 102.565 170.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 4.4 p -53.05 -32.96 19.06 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 N-CA-C 113.466 0.913 . . . . 25.0 113.466 -176.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -75.72 -32.99 60.28 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 113.54 0.941 . . . . 25.0 113.54 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . 51.62 -152.41 0.22 Allowed 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.161 0.584 . . . . 25.0 111.807 -177.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . 55.18 27.46 9.65 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 116.28 1.956 . . . . 25.0 116.28 174.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -71.01 100.49 2.0 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 121.01 0.433 . . . . 25.0 110.373 177.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 7.6 t -77.28 147.73 76.57 Favored Pre-proline 0 CA--C 1.542 0.665 0 N-CA-C 108.958 -0.756 . . . . 25.0 108.958 179.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_endo -75.49 176.85 9.43 Favored 'Trans proline' 0 C--N 1.35 0.605 0 C-N-CA 117.762 -1.025 . . . . 25.0 111.877 177.226 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.297 0 N-CA-C 107.414 -2.275 . . . . 25.0 107.414 176.087 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 206' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.721 0 CA-C-O 119.044 -0.503 . . . . 25.0 110.143 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 46.7 -161.72 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 125.28 1.432 . . . . 25.0 113.924 -176.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -172.18 -161.4 22.62 Favored Glycine 0 C--O 1.235 0.161 0 N-CA-C 107.538 -2.225 . . . . 25.0 107.538 179.422 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.3 t -148.96 173.43 13.34 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 107.414 -1.328 . . . . 25.0 107.414 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -81.91 148.72 28.61 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 119.17 0.895 . . . . 25.0 109.206 177.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 117.16 -176.0 15.98 Favored Glycine 0 C--O 1.224 -0.492 0 N-CA-C 107.685 -2.166 . . . . 25.0 107.685 -172.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 46.9 m-20 -91.44 105.75 17.99 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 119.344 1.572 . . . . 25.0 108.994 -179.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -95.74 154.38 17.25 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.663 0.268 . . . . 50.0 110.964 -173.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 65.3 t -129.12 103.37 9.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 104.492 -2.41 . . . . 25.0 104.492 167.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 64.5 mt -123.12 139.43 54.07 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.222 -0.445 . . . . 25.0 111.089 -172.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 89.3 mt -129.37 126.88 64.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 105.715 -1.958 . . . . 25.0 105.715 176.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -77.81 158.13 46.3 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.965 -0.636 . . . . 25.0 113.077 -177.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.5 t -77.21 174.94 10.17 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 107.775 -1.195 . . . . 25.0 107.775 176.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -76.23 -10.3 59.3 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 112.729 0.641 . . . . 25.0 112.729 -178.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.7 m -79.93 166.0 2.65 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 N-CA-C 109.217 -0.66 . . . . 25.0 109.217 175.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.47 139.75 27.13 Favored Glycine 0 CA--C 1.516 0.124 0 N-CA-C 111.028 -0.829 . . . . 25.0 111.028 177.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -146.84 163.9 34.56 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 113.381 0.882 . . . . 50.0 113.381 -174.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -108.6 124.27 50.23 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 104.059 -2.571 . . . . 25.0 104.059 161.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 58.2 mt -124.39 120.14 58.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 N-CA-C 105.536 -2.024 . . . . 25.0 105.536 -178.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 45.6 p -120.07 142.49 48.82 Favored 'General case' 0 C--O 1.214 -0.815 0 N-CA-C 108.552 -0.907 . . . . 25.0 108.552 -175.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -97.51 -22.34 16.84 Favored Glycine 0 C--O 1.225 -0.413 0 C-N-CA 120.421 -0.895 . . . . 25.0 112.246 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 62.55 -148.22 49.34 Favored Glycine 0 C--O 1.244 0.773 0 C-N-CA 120.252 -0.975 . . . . 25.0 110.792 -178.112 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.54 162.39 28.83 Favored 'General case' 0 C--O 1.245 0.867 0 CA-C-O 121.358 0.599 . . . . 25.0 109.813 178.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.05 167.6 37.43 Favored Glycine 0 C--O 1.239 0.408 0 CA-C-N 115.061 -0.972 . . . . 25.0 112.353 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -91.42 101.4 14.08 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.04 -1.096 . . . . 25.0 108.04 -178.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -106.84 164.16 12.34 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 113.654 0.983 . . . . 50.0 113.654 -170.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -124.52 123.29 39.79 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 105.074 -2.195 . . . . 25.0 105.074 168.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 62.6 mt -122.37 137.74 54.76 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.772 -0.825 . . . . 25.0 108.772 -176.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -131.62 140.28 49.35 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 105.544 -2.021 . . . . 25.0 105.544 174.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -87.73 -25.99 30.92 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 121.355 -0.45 . . . . 25.0 112.397 -179.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 68.12 -158.3 52.05 Favored Glycine 0 C--O 1.245 0.833 0 N-CA-C 108.48 -1.848 . . . . 25.0 108.48 -172.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.2 176.37 8.14 Favored 'General case' 0 C--O 1.247 0.969 0 CA-C-N 118.325 1.062 . . . . 25.0 109.89 177.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.5 167.84 35.06 Favored Glycine 0 C--O 1.237 0.326 0 N-CA-C 110.17 -1.172 . . . . 25.0 110.17 -176.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -83.79 138.07 33.42 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 107.508 -1.293 . . . . 25.0 107.508 -179.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -139.64 147.84 41.59 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 114.662 1.356 . . . . 50.0 114.662 -173.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.2 mp -102.37 124.39 47.86 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 104.694 -2.336 . . . . 25.0 104.694 170.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 19.0 mt -115.24 107.01 14.72 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 107.744 -1.206 . . . . 25.0 107.744 178.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -105.05 94.22 5.12 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.307 -0.861 . . . . 25.0 109.754 -173.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -57.28 -49.31 73.58 Favored Glycine 0 C--O 1.247 0.968 0 N-CA-C 116.995 1.558 . . . . 25.0 116.995 -172.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.21 179.0 50.1 Favored Glycine 0 CA--C 1.519 0.328 0 O-C-N 122.002 -0.705 . . . . 25.0 112.414 -177.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.57 149.49 13.76 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 122.497 -0.413 . . . . 25.0 110.765 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 95.25 163.87 34.71 Favored Glycine 0 C--O 1.243 0.69 0 N-CA-C 110.49 -1.044 . . . . 25.0 110.49 -176.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.2 ptp85 -89.31 126.6 35.59 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 106.661 -1.607 . . . . 25.0 106.661 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -123.66 160.37 27.31 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.982 -0.554 . . . . 50.0 110.456 -171.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.36 111.89 18.32 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 107.31 -1.367 . . . . 25.0 107.31 178.655 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.9 mp -109.16 135.01 50.99 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.789 0.328 . . . . 25.0 111.311 -172.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 28.4 m -129.5 126.22 38.14 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.312 -0.995 . . . . 25.0 108.312 177.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -82.64 -43.07 7.99 Favored Glycine 0 C--O 1.242 0.607 0 C-N-CA 119.925 -1.131 . . . . 25.0 114.859 -175.518 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.4 -164.05 54.57 Favored Glycine 0 C--O 1.24 0.47 0 N-CA-C 110.27 -1.132 . . . . 25.0 110.27 -175.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 84.3 mt -66.48 160.27 25.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 122.656 -0.32 . . . . 25.0 110.571 178.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 87.42 174.29 48.53 Favored Glycine 0 C--O 1.238 0.371 0 N-CA-C 110.302 -1.119 . . . . 25.0 110.302 -177.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.75 134.34 33.96 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 107.127 -1.434 . . . . 25.0 107.127 177.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -133.78 142.36 47.86 Favored 'General case' 0 C--N 1.319 -0.719 0 O-C-N 121.718 -0.614 . . . . 50.0 110.832 -175.024 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.9 t -113.86 123.2 49.22 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 122.26 1.029 . . . . 25.0 110.659 173.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -89.59 99.79 12.72 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 103.1 -2.926 . . . . 25.0 103.1 176.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 68.7 ttt-85 -120.05 149.54 42.01 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 113.849 1.055 . . . . 25.0 113.849 -160.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -66.08 156.37 34.06 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.502 -1.226 . . . . 25.0 110.879 173.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -129.85 -27.76 2.28 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.573 -0.899 . . . . 25.0 108.573 168.015 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 44.5 tp -145.87 156.59 43.65 Favored 'General case' 0 C--O 1.216 -0.675 0 N-CA-C 106.903 -1.518 . . . . 25.0 106.903 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 40.6 ptt180 -62.29 -24.51 67.34 Favored 'General case' 0 C--O 1.214 -0.787 0 CA-C-O 121.307 0.575 . . . . 25.0 112.472 178.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -87.2 11.84 13.14 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.323 0.582 . . . . 25.0 112.324 -177.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.58 -41.25 73.09 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 115.362 1.616 . . . . 25.0 115.362 -176.239 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 34.6 p -148.75 106.61 3.69 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.636 -0.505 . . . . 25.0 109.636 -176.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.513 ' HD2' ' CD1' ' A' ' 128' ' ' PHE . 13.3 t-80 -151.53 172.93 15.24 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.659 0.266 . . . . 25.0 110.313 -174.59 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -104.06 159.05 15.99 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 107.864 -1.161 . . . . 25.0 107.864 174.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 28.0 t -151.85 154.89 33.41 Favored Pre-proline 0 C--N 1.319 -0.752 0 N-CA-C 106.221 -1.77 . . . . 25.0 106.221 178.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -67.33 -14.28 42.27 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 115.843 -2.304 . . . . 25.0 112.139 173.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 76.0 mt -81.87 -0.67 44.68 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 122.751 0.42 . . . . 25.0 111.686 177.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 127.89 171.99 13.13 Favored Glycine 0 C--O 1.226 -0.392 0 N-CA-C 110.472 -1.051 . . . . 25.0 110.472 -178.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 13.7 t -82.06 148.59 28.51 Favored 'General case' 0 C--N 1.321 -0.66 0 O-C-N 121.756 -0.849 . . . . 25.0 109.557 179.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -125.95 23.56 7.18 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 106.273 -1.751 . . . . 25.0 106.273 176.214 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 26.0 p -64.33 139.15 58.74 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.985 -1.007 . . . . 25.0 109.805 178.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -82.29 155.94 24.57 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-O 120.927 0.394 . . . . 50.0 110.188 177.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.1 mp -120.81 129.67 53.66 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.955 -1.021 . . . . 25.0 108.507 179.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 11.6 mt -108.01 146.28 14.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 N-CA-C 105.61 -1.996 . . . . 25.0 105.61 174.259 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -81.13 170.17 16.5 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 106.924 -1.51 . . . . 25.0 106.924 174.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -56.18 138.13 50.56 Favored 'General case' 0 C--O 1.242 0.705 0 N-CA-C 108.079 -1.082 . . . . 25.0 108.079 175.152 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 25.1 p90 -142.1 -171.48 3.38 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 113.468 0.914 . . . . 25.0 113.468 -174.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -99.36 90.21 1.13 Allowed Pre-proline 0 N--CA 1.474 0.743 0 C-N-CA 123.086 0.554 . . . . 25.0 110.69 -176.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -73.05 1.09 6.94 Favored 'Trans proline' 0 CA--C 1.533 0.458 0 N-CA-C 115.242 1.208 . . . . 25.0 115.242 -174.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 34.4 t -87.51 -9.33 54.81 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 122.324 -0.235 . . . . 25.0 110.663 174.179 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -137.68 -31.94 0.77 Allowed 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 113.685 0.994 . . . . 25.0 113.685 -174.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -85.55 174.68 9.28 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.109 0.481 . . . . 50.0 111.404 -173.642 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 51.3 tptt -147.95 146.28 28.92 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.918 -0.583 . . . . 25.0 110.774 -169.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 73.4 mt -116.91 112.08 37.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 106.205 -1.776 . . . . 25.0 106.205 172.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -110.4 111.59 22.97 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.343 0.592 . . . . 25.0 109.959 -177.187 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 15.3 m -125.5 21.45 3.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 CA-C-N 115.377 -0.829 . . . . 25.0 111.709 -176.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.7 t -55.65 -41.83 74.16 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 114.349 1.24 . . . . 25.0 114.349 -175.221 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -76.2 -3.76 38.1 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 115.424 1.639 . . . . 25.0 115.424 -174.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 25.3 mt -75.54 -43.58 48.01 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 105.413 -2.069 . . . . 25.0 105.413 176.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 100.03 135.36 8.88 Favored Glycine 0 C--O 1.222 -0.636 0 CA-C-N 113.102 -1.863 . . . . 25.0 112.701 176.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -147.3 162.96 37.89 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 105.312 -2.107 . . . . 25.0 105.312 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 6.1 tp -120.06 -12.9 9.42 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 N-CA-C 113.242 0.83 . . . . 25.0 113.242 -174.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.473 ' HA3' HG22 ' A' ' 102' ' ' THR . . . -143.37 165.41 27.09 Favored Glycine 0 C--O 1.227 -0.326 0 C-N-CA 120.488 -0.863 . . . . 25.0 113.471 -179.718 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 84.4 mt -64.59 -38.11 89.9 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 115.53 1.678 . . . . 25.0 115.53 -171.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 157.23 95.6 0.11 Allowed Glycine 0 C--O 1.226 -0.377 0 N-CA-C 118.234 2.054 . . . . 25.0 118.234 -176.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -136.63 -0.62 2.36 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 122.472 0.309 . . . . 25.0 110.319 175.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 81.08 -2.44 81.13 Favored Glycine 0 N--CA 1.46 0.254 0 N-CA-C 117.067 1.587 . . . . 25.0 117.067 177.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -141.09 152.74 45.02 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 117.296 0.548 . . . . 25.0 111.022 -177.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . 54.8 48.73 19.47 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 114.039 1.126 . . . . 25.0 114.039 175.259 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 84.98 19.95 58.48 Favored Glycine 0 CA--C 1.51 -0.226 0 C-N-CA 120.391 -0.909 . . . . 25.0 113.528 174.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.473 HG22 ' HA3' ' A' ' 94' ' ' GLY . 30.1 p -128.61 139.91 52.03 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 105.869 -1.901 . . . . 25.0 105.869 179.271 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 22.2 mt -90.07 163.38 14.91 Favored 'General case' 0 C--O 1.217 -0.654 0 N-CA-C 115.761 1.763 . . . . 25.0 115.761 -171.064 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -153.46 164.27 38.5 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 106.383 -1.71 . . . . 25.0 106.383 172.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 10.7 p -122.36 152.14 26.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 106.039 -1.837 . . . . 25.0 106.039 177.117 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 47.0 m -146.46 161.75 39.74 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 107.758 -1.201 . . . . 25.0 107.758 178.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 41.1 mt -131.29 161.91 31.25 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 107.907 -1.145 . . . . 25.0 107.907 179.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 40.8 p -77.81 167.51 21.41 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 106.388 -1.708 . . . . 25.0 106.388 170.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.16 -11.02 35.91 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 113.902 1.075 . . . . 25.0 113.902 -176.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -120.48 4.4 10.69 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.102 -0.703 . . . . 25.0 109.102 -175.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 70.85 4.97 56.32 Favored Glycine 0 CA--C 1.52 0.399 0 N-CA-C 114.701 0.64 . . . . 25.0 114.701 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 88.5 mt -78.18 -8.31 58.15 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 113.606 0.965 . . . . 25.0 113.606 -175.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 3.5 mmt85 -140.25 147.31 39.81 Favored 'General case' 0 CA--C 1.511 -0.545 0 N-CA-C 108.511 -0.922 . . . . 25.0 108.511 177.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 6.1 m -127.13 141.62 51.71 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 107.911 -1.144 . . . . 25.0 107.911 177.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -129.04 151.41 49.76 Favored 'General case' 0 C--N 1.32 -0.694 0 O-C-N 121.741 -0.599 . . . . 25.0 110.487 -175.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 86.7 mt -126.99 135.29 50.65 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 106.545 -1.65 . . . . 25.0 106.545 174.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -143.97 136.81 27.25 Favored 'General case' 0 C--O 1.22 -0.469 0 N-CA-C 113.222 0.823 . . . . 25.0 113.222 -174.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.2 t -112.97 -17.21 12.52 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 112.816 0.673 . . . . 25.0 112.816 176.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 10.0 t80 32.69 60.94 0.38 Allowed 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 114.451 1.278 . . . . 25.0 114.451 -170.098 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -64.55 135.74 56.31 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 105.272 -2.122 . . . . 25.0 105.272 174.04 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -118.66 15.02 13.61 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.764 0.792 . . . . 25.0 111.846 -171.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -62.19 -34.96 77.44 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 114.204 -1.362 . . . . 25.0 111.059 -176.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -143.7 103.79 4.11 Favored 'General case' 0 C--O 1.219 -0.503 0 CA-C-N 115.83 -0.623 . . . . 25.0 110.356 178.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 50.54 26.86 2.59 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 115.841 1.793 . . . . 25.0 115.841 175.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 65.54 23.65 70.53 Favored Glycine 0 CA--C 1.523 0.534 0 C-N-CA 120.688 -0.768 . . . . 25.0 113.778 -178.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 -83.71 132.46 34.86 Favored 'General case' 0 C--O 1.219 -0.548 0 N-CA-C 103.134 -2.913 . . . . 25.0 103.134 175.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 41.3 t -143.64 160.67 40.26 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 113.749 1.018 . . . . 25.0 113.749 -166.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.513 ' CD1' ' HD2' ' A' ' 64' ' ' HIS . 65.1 m-85 -70.54 107.29 3.8 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 107.656 -1.239 . . . . 25.0 107.656 170.398 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -136.73 150.51 48.47 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.241 -0.651 . . . . 25.0 109.241 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 5.7 mp -131.46 153.53 49.65 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 107.208 -1.405 . . . . 25.0 107.208 177.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -140.88 103.59 4.52 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 106.628 -1.619 . . . . 25.0 106.628 178.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -117.44 174.04 6.36 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.551 -0.537 . . . . 25.0 109.551 -174.386 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -75.58 -162.92 0.22 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.173 -0.467 . . . . 25.0 110.965 -179.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -76.57 -170.61 31.97 Favored Glycine 0 N--CA 1.452 -0.244 0 N-CA-C 111.406 -0.678 . . . . 25.0 111.406 -178.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -161.26 164.09 30.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 121.973 -0.722 . . . . 25.0 111.523 -178.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 74.9 m80 -78.05 81.74 4.42 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-O 121.097 0.475 . . . . 25.0 109.759 175.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -60.25 -29.3 68.68 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.092 -0.706 . . . . 25.0 109.092 176.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' ALA . . . . . . . . . . . . . . . -60.15 -24.57 64.83 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 115.633 -0.712 . . . . 25.0 111.681 176.121 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 51.8 p -122.23 27.94 7.72 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 112.209 0.448 . . . . 25.0 112.209 178.293 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.7 pp -66.88 159.52 28.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.345 0.593 . . . . 25.0 111.687 -177.293 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 83.1 p -140.33 147.52 39.98 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.197 -1.038 . . . . 25.0 108.197 174.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -70.72 -12.75 61.74 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.179 0.514 . . . . 25.0 112.143 -177.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -88.68 9.01 77.76 Favored Glycine 0 C--O 1.225 -0.434 0 N-CA-C 114.373 0.509 . . . . 25.0 114.373 -177.276 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -58.4 -45.6 88.06 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 114.411 1.263 . . . . 25.0 114.411 -175.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 49.1 pt -90.09 161.0 2.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.199 -0.667 . . . . 25.0 109.199 -179.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 10.0 p -58.46 -27.79 34.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 N-CA-C 113.673 0.99 . . . . 25.0 113.673 -176.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -88.74 -8.16 54.99 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.671 0.619 . . . . 25.0 112.671 -179.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . 59.14 -159.09 0.3 Allowed 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 114.995 -1.002 . . . . 25.0 109.56 -174.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . 55.66 27.27 10.33 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 113.581 0.956 . . . . 25.0 113.581 -179.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -66.45 130.83 44.51 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.969 -0.752 . . . . 25.0 108.969 178.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 11.5 t -70.18 146.24 94.48 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 116.052 -0.522 . . . . 25.0 109.778 179.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -72.26 167.94 25.51 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 117.194 -1.404 . . . . 25.0 111.016 173.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.224 0 N-CA-C 105.113 -3.195 . . . . 25.0 105.113 178.132 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 205' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 206' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_